4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine

C15H23N5 — CID 122598680

IUPAC4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCC(C)(CC)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C15H23N5/c1-4-6-9-15(3,5-2)20-13-12-11(8-7-10-17-12)18-14(16)19-13/h7-8,10H,4-6,9H2,1-3H3,(H3,16,18,19,20)
InChIKeyNXXFDOPVWFGIBS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.38
Rot. Bonds6

About 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine

4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 122598680) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID122598680
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCC(C)(CC)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C15H23N5/c1-4-6-9-15(3,5-2)20-13-12-11(8-7-10-17-12)18-14(16)19-13/h7-8,10H,4-6,9H2,1-3H3,(H3,16,18,19,20)
InChIKeyNXXFDOPVWFGIBS-UHFFFAOYSA-N
XLogP3.38
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide
CID 175478859
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 169102407
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentyl]acetamide
CID 134319396
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 160992644
(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide
CID 162475052
(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 159990858
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
CID 160852198
4-N-(1-amino-2-methylhexan-2-yl)-1,5-naphthyridine-2,4-diamine
CID 171782266
(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

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 122598680) is 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine is CCCCC(C)(CC)Nc1nc(N)nc2cccnc12.
What is the InChIKey of 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is NXXFDOPVWFGIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-6-9-15(3,5-2)20-13-12-11(8-7-10-17-12)18-14(16)19-13/h7-8,10H,4-6,9H2,1-3H3,(H3,16,18,19,20).
What are the key properties of 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine?
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 273.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 122598680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).