7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine

C31H36ClN7O — CID 11157207

IUPAC7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESC[C@@H]1CN(Cc2nc(Nc3ccc4c(c3)CN(C)CC4(C)C)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1
InChIInChI=1S/C31H36ClN7O/c1-19-14-39(15-20(2)40-19)17-27-36-26-12-21(28-25(32)7-6-10-33-28)13-34-29(26)30(37-27)35-23-8-9-24-22(11-23)16-38(5)18-31(24,3)4/h6-13,19-20H,14-18H2,1-5H3,(H,35,36,37)/t19-,20+
InChIKeyCAKUIYWZXNHBSY-BGYRXZFFSA-N
MW558.13 g/mol
LogP5.82
Rot. Bonds5

About 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 11157207) has the molecular formula C31H36ClN7O and a molecular weight of 558.13 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID11157207
Molecular FormulaC31H36ClN7O
Molecular Weight558.13 g/mol
Exact Mass557.27
IUPAC Name7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESC[C@@H]1CN(Cc2nc(Nc3ccc4c(c3)CN(C)CC4(C)C)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1
InChIInChI=1S/C31H36ClN7O/c1-19-14-39(15-20(2)40-19)17-27-36-26-12-21(28-25(32)7-6-10-33-28)13-34-29(26)30(37-27)35-23-8-9-24-22(11-23)16-38(5)18-31(24,3)4/h6-13,19-20H,14-18H2,1-5H3,(H,35,36,37)/t19-,20+
InChIKeyCAKUIYWZXNHBSY-BGYRXZFFSA-N
XLogP5.82
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.13
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-[(2R)-2-methylmorpholin-4-yl]isoquinolin-1-amine
CID 23725173
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-naphthyridin-5-amine
CID 24789011
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-[(2R)-2-methylmorpholin-4-yl]-1,6-naphthyridin-5-amine
CID 49840814
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]isoquinolin-1-amine
CID 58006515
5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381673
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 44587934
N-[4-[5,6,7,8-Tetrahydro-4-(4-morpholinyl)-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-2-pyrimidinamine
CID 59239271
N-[6-(6-amino-4-chloro-3-pyridinyl)-2-(4-morpholinyl)-4-pyrimidinyl]-3-quinolinamine
CID 59507663
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113911
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113915
6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494014

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 11157207) is 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine is C[C@@H]1CN(Cc2nc(Nc3ccc4c(c3)CN(C)CC4(C)C)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is CAKUIYWZXNHBSY-BGYRXZFFSA-N. The full InChI is InChI=1S/C31H36ClN7O/c1-19-14-39(15-20(2)40-19)17-27-36-26-12-21(28-25(32)7-6-10-33-28)13-34-29(26)30(37-27)35-23-8-9-24-22(11-23)16-38(5)18-31(24,3)4/h6-13,19-20H,14-18H2,1-5H3,(H,35,36,37)/t19-,20+.
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 558.13 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 11157207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).