2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide

C22H34N8O2 — CID 166010358

IUPAC2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide
SMILESCCCC[C@](C)(CNC(=O)[C@@H]1CCCN1)Nc1nc(N)nc2cc(C(=O)N(C)C)cnc12
InChIInChI=1S/C22H34N8O2/c1-5-6-9-22(2,13-26-19(31)15-8-7-10-24-15)29-18-17-16(27-21(23)28-18)11-14(12-25-17)20(32)30(3)4/h11-12,15,24H,5-10,13H2,1-4H3,(H,26,31)(H3,23,27,28,29)/t15-,22+/m0/s1
InChIKeyYXKAARWAPITDJR-OYHNWAKOSA-N
MW442.57 g/mol
LogP1.54
Rot. Bonds9

About 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide

2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide (PubChem CID 166010358) has the molecular formula C22H34N8O2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide
PubChem CID166010358
Molecular FormulaC22H34N8O2
Molecular Weight442.57 g/mol
Exact Mass442.28
IUPAC Name2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide
SMILESCCCC[C@](C)(CNC(=O)[C@@H]1CCCN1)Nc1nc(N)nc2cc(C(=O)N(C)C)cnc12
InChIInChI=1S/C22H34N8O2/c1-5-6-9-22(2,13-26-19(31)15-8-7-10-24-15)29-18-17-16(27-21(23)28-18)11-14(12-25-17)20(32)30(3)4/h11-12,15,24H,5-10,13H2,1-4H3,(H,26,31)(H3,23,27,28,29)/t15-,22+/m0/s1
InChIKeyYXKAARWAPITDJR-OYHNWAKOSA-N
XLogP1.54
TPSA138.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide
CID 162475052
4-[[(2R)-1-acetamido-2-methylhexan-2-yl]amino]-2-amino-N-phenylpyrido[3,2-d]pyrimidine-7-carboxamide
CID 166010281
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305672
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901235
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 161453106
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115666735
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
CID 66188372

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide (CID 166010358) is 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide is CCCC[C@](C)(CNC(=O)[C@@H]1CCCN1)Nc1nc(N)nc2cc(C(=O)N(C)C)cnc12.
What is the InChIKey of 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is YXKAARWAPITDJR-OYHNWAKOSA-N. The full InChI is InChI=1S/C22H34N8O2/c1-5-6-9-22(2,13-26-19(31)15-8-7-10-24-15)29-18-17-16(27-21(23)28-18)11-14(12-25-17)20(32)30(3)4/h11-12,15,24H,5-10,13H2,1-4H3,(H,26,31)(H3,23,27,28,29)/t15-,22+/m0/s1.
What are the key properties of 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide?
2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 442.57 g/mol, XLogP of 1.54, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 166010358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).