cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine

C66H87N17O10S3 — CID 159010924

IUPACcyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine
SMILESCOc1cc(-c2nc(N=[S@@](C)(=O)C3CC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1.COc1cc(-c2nc(N=[S@](C)(=O)C3CC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1.COc1ccc(CCc2cc(-c3nc(N=S(C)(=O)C4CC4)cc(N4CCOC[C@H]4C)n3)cc(OC)n2)cc1
InChIInChI=1S/C28H35N5O4S.2C19H26N6O3S/c1-19-18-37-14-13-33(19)26-17-25(32-38(4,34)24-11-12-24)30-28(31-26)21-15-22(29-27(16-21)36-3)8-5-20-6-9-23(35-2)10-7-20;2*1-12-11-28-7-6-25(12)17-10-16(24-29(3,26)14-4-5-14)22-19(23-17)13-8-15(20)21-18(9-13)27-2/h6-7,9-10,15-17,19,24H,5,8,11-14,18H2,1-4H3;2*8-10,12,14H,4-7,11H2,1-3H3,(H2,20,21)/t19-,38?;12-,29+;12-,29-/m111/s1
InChIKeyJSLZPUIZEDLTFV-QJZGGPMSSA-N
MW1374.73 g/mol
LogP8.95
Rot. Bonds19

About cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine

cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine (PubChem CID 159010924) has the molecular formula C66H87N17O10S3 and a molecular weight of 1374.73 g/mol. Its IUPAC name is cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine.

Molecular Properties

Compound Namecyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine
PubChem CID159010924
Molecular FormulaC66H87N17O10S3
Molecular Weight1374.73 g/mol
Exact Mass1373.60
IUPAC Namecyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine
SMILESCOc1cc(-c2nc(N=[S@@](C)(=O)C3CC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1.COc1cc(-c2nc(N=[S@](C)(=O)C3CC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1.COc1ccc(CCc2cc(-c3nc(N=S(C)(=O)C4CC4)cc(N4CCOC[C@H]4C)n3)cc(OC)n2)cc1
InChIInChI=1S/C28H35N5O4S.2C19H26N6O3S/c1-19-18-37-14-13-33(19)26-17-25(32-38(4,34)24-11-12-24)30-28(31-26)21-15-22(29-27(16-21)36-3)8-5-20-6-9-23(35-2)10-7-20;2*1-12-11-28-7-6-25(12)17-10-16(24-29(3,26)14-4-5-14)22-19(23-17)13-8-15(20)21-18(9-13)27-2/h6-7,9-10,15-17,19,24H,5,8,11-14,18H2,1-4H3;2*8-10,12,14H,4-7,11H2,1-3H3,(H2,20,21)/t19-,38?;12-,29+;12-,29-/m111/s1
InChIKeyJSLZPUIZEDLTFV-QJZGGPMSSA-N
XLogP8.95
TPSA330.67 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.73
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-lambda6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;2,2,2-trifluoroacetaldehyde
CID 160783130
N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-ethylsulfanylethanamine
CID 16735301
(2S)-2-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-4-methylsulfanylbutan-1-ol
CID 16738118
N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-ethylsulfanylethanamine
CID 57442146
2-[[5-[2-(2,6-Dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methylamino]-4-methylsulfanylbutan-1-ol
CID 68433671
[2-Methoxy-5-[4-morpholin-4-yl-2-[(1-oxothian-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 71250951
4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxy-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 137417758
4-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 137418035
4-[4-(1-cyclopropylimino-2-methyl-1-oxothiolan-2-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine
CID 137511779
4-[4-[(2S)-1-cyclopropylimino-2-methyl-1-oxothiolan-2-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine
CID 137514012
4-[4-[(2R)-1-cyclopropylimino-2-methyl-1-oxothiolan-2-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine
CID 137514120
4-[7-(4-Methoxyphenyl)-2-(methylsulfonylmethyl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
CID 141312491

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine?
The IUPAC name of cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine (CID 159010924) is cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine.
What is the SMILES notation for cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine?
The canonical SMILES for cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine is COc1cc(-c2nc(N=[S@@](C)(=O)C3CC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1.COc1cc(-c2nc(N=[S@](C)(=O)C3CC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1.COc1ccc(CCc2cc(-c3nc(N=S(C)(=O)C4CC4)cc(N4CCOC[C@H]4C)n3)cc(OC)n2)cc1.
What is the InChIKey of cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine?
The InChIKey is JSLZPUIZEDLTFV-QJZGGPMSSA-N. The full InChI is InChI=1S/C28H35N5O4S.2C19H26N6O3S/c1-19-18-37-14-13-33(19)26-17-25(32-38(4,34)24-11-12-24)30-28(31-26)21-15-22(29-27(16-21)36-3)8-5-20-6-9-23(35-2)10-7-20;2*1-12-11-28-7-6-25(12)17-10-16(24-29(3,26)14-4-5-14)22-19(23-17)13-8-15(20)21-18(9-13)27-2/h6-7,9-10,15-17,19,24H,5,8,11-14,18H2,1-4H3;2*8-10,12,14H,4-7,11H2,1-3H3,(H2,20,21)/t19-,38?;12-,29+;12-,29-/m111/s1.
What are the key properties of cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine?
cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine has a molecular weight of 1374.73 g/mol, XLogP of 8.95, 19 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[2-methoxy-6-[2-(4-methoxyphenyl)ethyl]-4-pyridinyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine;4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-6-methoxypyridin-2-amine is sourced from PubChem (CID 159010924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).