2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

C16H24N4O — CID 141182799

IUPAC2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCCc1cc(=O)[nH]c2nc(NCC)nc(C)c12
InChIInChI=1S/C16H24N4O/c1-4-6-7-8-9-12-10-13(21)19-15-14(12)11(3)18-16(20-15)17-5-2/h10H,4-9H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyBFSUINFCLUWXEG-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.18
Rot. Bonds7

About 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 141182799) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID141182799
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCCc1cc(=O)[nH]c2nc(NCC)nc(C)c12
InChIInChI=1S/C16H24N4O/c1-4-6-7-8-9-12-10-13(21)19-15-14(12)11(3)18-16(20-15)17-5-2/h10H,4-9H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyBFSUINFCLUWXEG-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-6-methyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 135271032
4-N-butyl-6-methyl-5-(5-phenylpentyl)pyrimidine-2,4-diamine
CID 135271042
4-N-butyl-6-methyl-5-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 135271043
5-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 135271006
4-N-butyl-6-methyl-5-(2-phenylethyl)pyrimidine-2,4-diamine
CID 135271044
1-(3-{[2-(dimethylamino)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]amino}propyl)-6-methylpyridin-2(1H)-one
CID 56905757
7-acetyl-N~2~,N~2~-dimethyl-N~4~-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56913782
6-(2-{[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino}ethyl)-2-methylpyrimidin-4(3H)-one
CID 135858718
5-(2-amino-4-methyl-6-phenylpyrimidin-5-yl)-1H-pyridin-2-one
CID 44215888
6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
CID 71163877
8-Ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 123436499
2-Amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 137384075

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 141182799) is 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one is CCCCCCc1cc(=O)[nH]c2nc(NCC)nc(C)c12.
What is the InChIKey of 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BFSUINFCLUWXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-6-7-8-9-12-10-13(21)19-15-14(12)11(3)18-16(20-15)17-5-2/h10H,4-9H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 288.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-hexyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141182799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).