2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one

C15H27N3O — CID 136701809

IUPAC2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCCCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H27N3O/c1-4-13-17-14(11-15(19)18-13)16-10-8-6-5-7-9-12(2)3/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyWDXAWYSLTZNGNH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.35
Rot. Bonds9

About 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one

2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one (PubChem CID 136701809) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one
PubChem CID136701809
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCCCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H27N3O/c1-4-13-17-14(11-15(19)18-13)16-10-8-6-5-7-9-12(2)3/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyWDXAWYSLTZNGNH-UHFFFAOYSA-N
XLogP3.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-nonan-2-yl-1H-pyrimidin-6-one
CID 127044150
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
2-octan-2-yl-1H-pyrimidin-6-one
CID 155019745
2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one
CID 65395577
2-cycloheptyl-1H-pyrimidin-6-one
CID 65399530
2-(3-ethylcyclohexyl)-1H-pyrimidin-6-one
CID 65400664
2-(4-propylcyclohexyl)-1H-pyrimidin-6-one
CID 65422889
2-cyclooctyl-1H-pyrimidin-6-one
CID 80602338
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
2-methyl-4-(octadecylamino)-1H-pyrimidin-6-one
CID 135818520
4-amino-2-cycloheptyl-1H-pyrimidin-6-one
CID 136237687

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one (CID 136701809) is 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one is CCc1nc(NCCCCCCC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one?
The InChIKey is WDXAWYSLTZNGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-13-17-14(11-15(19)18-13)16-10-8-6-5-7-9-12(2)3/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one has a molecular weight of 265.40 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136701809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).