4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine

C17H24N4 — CID 172597481

IUPAC4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine
SMILESCCc1nc(C)cc2nc(C)nc(N3CCCCCC3)c12
InChIInChI=1S/C17H24N4/c1-4-14-16-15(11-12(2)18-14)19-13(3)20-17(16)21-9-7-5-6-8-10-21/h11H,4-10H2,1-3H3
InChIKeyQHTDHGZXSCEYQE-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.58
Rot. Bonds2

About 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine

4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine (PubChem CID 172597481) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine
PubChem CID172597481
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine
SMILESCCc1nc(C)cc2nc(C)nc(N3CCCCCC3)c12
InChIInChI=1S/C17H24N4/c1-4-14-16-15(11-12(2)18-14)19-13(3)20-17(16)21-9-7-5-6-8-10-21/h11H,4-10H2,1-3H3
InChIKeyQHTDHGZXSCEYQE-UHFFFAOYSA-N
XLogP3.58
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-difluoropiperidin-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine
CID 172597649
ethane;4-(5-ethyl-2-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepan-7-one
CID 172597651
4-(3,4-dihydro-2H-pyridin-1-yl)-5-ethyl-2-methylpyrido[4,3-d]pyrimidin-7-amine
CID 172597468
2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidine
CID 10589936
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
(12S)-13-ethyl-3,7,12-trimethyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
CID 170726653
4-(azepan-1-yl)-7-bromo-2-methylquinazoline
CID 69428086
4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430224
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
6-methyl-2-phenyl-4-piperidin-1-ylpyrazolo[4,3-c]pyridin-3-amine
CID 56668358
12,16-dimethyl-2,11,15,17-tetrazatetracyclo[8.7.1.02,8.014,18]octadeca-1(17),10,12,14(18),15-pentaene;ethane
CID 172597725
ethane;(12S)-13-ethyl-3,7,12-trimethyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
CID 170726652

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine (CID 172597481) is 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine is CCc1nc(C)cc2nc(C)nc(N3CCCCCC3)c12.
What is the InChIKey of 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine?
The InChIKey is QHTDHGZXSCEYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-14-16-15(11-12(2)18-14)19-13(3)20-17(16)21-9-7-5-6-8-10-21/h11H,4-10H2,1-3H3.
What are the key properties of 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine?
4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine has a molecular weight of 284.41 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-5-ethyl-2,7-dimethylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172597481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).