6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane

C43H66N14O6S2 — CID 160590132

IUPAC6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane
SMILESC.CCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(N)n1.CCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(NC(C)(C)C)n1
InChIInChI=1S/C23H35N7O3S.C19H27N7O3S.CH4/c1-8-24-22(31)17-11-16(12-18(25-17)28-23(3,4)5)21-26-19(29-34(6,7)32)13-20(27-21)30-9-10-33-14-15(30)2;1-5-21-19(27)14-8-13(9-15(20)22-14)18-23-16(25-30(3,4)28)10-17(24-18)26-6-7-29-11-12(26)2;/h11-13,15H,8-10,14H2,1-7H3,(H,24,31)(H,25,28);8-10,12H,5-7,11H2,1-4H3,(H2,20,22)(H,21,27);1H4/t15-;12-;/m11./s1
InChIKeyRCXCHWIGIACBNS-BXQSFLCVSA-N
MW939.23 g/mol
LogP5.17
Rot. Bonds11

About 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane

6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane (PubChem CID 160590132) has the molecular formula C43H66N14O6S2 and a molecular weight of 939.23 g/mol. Its IUPAC name is 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane.

Molecular Properties

Compound Name6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane
PubChem CID160590132
Molecular FormulaC43H66N14O6S2
Molecular Weight939.23 g/mol
Exact Mass938.47
IUPAC Name6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane
SMILESC.CCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(N)n1.CCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(NC(C)(C)C)n1
InChIInChI=1S/C23H35N7O3S.C19H27N7O3S.CH4/c1-8-24-22(31)17-11-16(12-18(25-17)28-23(3,4)5)21-26-19(29-34(6,7)32)13-20(27-21)30-9-10-33-14-15(30)2;1-5-21-19(27)14-8-13(9-15(20)22-14)18-23-16(25-30(3,4)28)10-17(24-18)26-6-7-29-11-12(26)2;/h11-13,15H,8-10,14H2,1-7H3,(H,24,31)(H,25,28);8-10,12H,5-7,11H2,1-4H3,(H2,20,22)(H,21,27);1H4/t15-;12-;/m11./s1
InChIKeyRCXCHWIGIACBNS-BXQSFLCVSA-N
XLogP5.17
TPSA257.39 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500939.23
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[4-(2,6-Dimorpholin-4-ylpyrimidin-4-yl)phenyl]carbamoylamino]benzoyl]piperidine-2-carboxamide
CID 166631318
[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]-piperazin-1-ylmethanone
CID 57441932
US10392376, Example 112
CID 137405551
US10392376, Example 50
CID 137405570
US10392376, Example 49
CID 137405607
N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide
CID 155539067
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(6-methylsulfonyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]urea
CID 49763410
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methylsulfonyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 49763917
6-amino-4-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-methylpyridine-2-carboxamide
CID 137405555
6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridine-2-carboxamide
CID 137405559
6-(Tert-butylamino)-4-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]pyridine-2-carboxamide
CID 137405561
6-amino-4-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
CID 137405572

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane?
The IUPAC name of 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane (CID 160590132) is 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane.
What is the SMILES notation for 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane?
The canonical SMILES for 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane is C.CCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(N)n1.CCNC(=O)c1cc(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cc(NC(C)(C)C)n1.
What is the InChIKey of 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane?
The InChIKey is RCXCHWIGIACBNS-BXQSFLCVSA-N. The full InChI is InChI=1S/C23H35N7O3S.C19H27N7O3S.CH4/c1-8-24-22(31)17-11-16(12-18(25-17)28-23(3,4)5)21-26-19(29-34(6,7)32)13-20(27-21)30-9-10-33-14-15(30)2;1-5-21-19(27)14-8-13(9-15(20)22-14)18-23-16(25-30(3,4)28)10-17(24-18)26-6-7-29-11-12(26)2;/h11-13,15H,8-10,14H2,1-7H3,(H,24,31)(H,25,28);8-10,12H,5-7,11H2,1-4H3,(H2,20,22)(H,21,27);1H4/t15-;12-;/m11./s1.
What are the key properties of 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane?
6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane has a molecular weight of 939.23 g/mol, XLogP of 5.17, 11 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;6-(tert-butylamino)-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide;methane is sourced from PubChem (CID 160590132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).