5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one

C15H24N6O — CID 135686960

IUPAC5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCCCCCc1nc(Nc2nc(C)c(CC)c(=O)[nH]2)n[nH]1
InChIInChI=1S/C15H24N6O/c1-4-6-7-8-9-12-17-15(21-20-12)19-14-16-10(3)11(5-2)13(22)18-14/h4-9H2,1-3H3,(H3,16,17,18,19,20,21,22)
InChIKeyPLMYVOWDUHFNIH-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.63
Rot. Bonds8

About 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one

5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135686960) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135686960
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCCCCCc1nc(Nc2nc(C)c(CC)c(=O)[nH]2)n[nH]1
InChIInChI=1S/C15H24N6O/c1-4-6-7-8-9-12-17-15(21-20-12)19-14-16-10(3)11(5-2)13(22)18-14/h4-9H2,1-3H3,(H3,16,17,18,19,20,21,22)
InChIKeyPLMYVOWDUHFNIH-UHFFFAOYSA-N
XLogP2.63
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyrimidin-4(3H)-one
CID 136014768
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 53606303
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927873
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 81585211
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 136279182
6-(2-aminoethyl)-7-methyl-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136345047
2,7-Dimethyl-6-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773958
6-Ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 136773975
4-Methyl-2,3,5,7-tetrazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5-trien-8-one
CID 136773978
11-Ethyl-1,8,10,12-tetraazatricyclo[7.3.0.0,2,6]dodeca-2(6),7,9,11-tetraen-7-ol
CID 137004080
2,7-Diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 137004082
2,6-Diethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 137004083

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one (CID 135686960) is 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one is CCCCCCc1nc(Nc2nc(C)c(CC)c(=O)[nH]2)n[nH]1.
What is the InChIKey of 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PLMYVOWDUHFNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-6-7-8-9-12-17-15(21-20-12)19-14-16-10(3)11(5-2)13(22)18-14/h4-9H2,1-3H3,(H3,16,17,18,19,20,21,22).
What are the key properties of 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 304.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(5-hexyl-1H-1,2,4-triazol-3-yl)amino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135686960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).