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

C13H23N3O — CID 136982447

IUPAC4-(7-methyloctylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C13H23N3O/c1-11(2)7-5-3-4-6-8-14-12-9-13(17)16-10-15-12/h9-11H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyGJTZCQNVGJKYLH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.79
Rot. Bonds8

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

4-(7-methyloctylamino)-1H-pyrimidin-6-one (PubChem CID 136982447) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(7-methyloctylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(7-methyloctylamino)-1H-pyrimidin-6-one
PubChem CID136982447
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(7-methyloctylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C13H23N3O/c1-11(2)7-5-3-4-6-8-14-12-9-13(17)16-10-15-12/h9-11H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyGJTZCQNVGJKYLH-UHFFFAOYSA-N
XLogP2.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.79
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

2-(8-methylnonylamino)-1H-pyrimidin-6-one
CID 67606113
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137030179
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one
CID 159090684
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
CID 160966104
2-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 167675672
2-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135469314

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyloctylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(7-methyloctylamino)-1H-pyrimidin-6-one (CID 136982447) is 4-(7-methyloctylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(7-methyloctylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(7-methyloctylamino)-1H-pyrimidin-6-one is CC(C)CCCCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(7-methyloctylamino)-1H-pyrimidin-6-one?
The InChIKey is GJTZCQNVGJKYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)7-5-3-4-6-8-14-12-9-13(17)16-10-15-12/h9-11H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-(7-methyloctylamino)-1H-pyrimidin-6-one?
4-(7-methyloctylamino)-1H-pyrimidin-6-one has a molecular weight of 237.35 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyloctylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136982447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).