4-(heptan-2-ylamino)-1H-pyrimidin-6-one

C11H19N3O — CID 136956495

IUPAC4-(heptan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-9(2)14-10-7-11(15)13-8-12-10/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDOAUEQQCAPJGSK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.15
Rot. Bonds6

About 4-(heptan-2-ylamino)-1H-pyrimidin-6-one

4-(heptan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956495) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(heptan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(heptan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956495
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(heptan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O/c1-3-4-5-6-9(2)14-10-7-11(15)13-8-12-10/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDOAUEQQCAPJGSK-UHFFFAOYSA-N
XLogP2.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.15
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-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
2-(heptan-3-ylamino)-1H-pyrimidin-6-one
CID 22182970
2-(Cyclohexylamino)-3-methylpyrimidin-4-one
CID 91499766
4-methyl-2-(octylamino)-1H-pyrimidin-6-one
CID 135968099
1-(4-amino-6-oxo-1H-pyrimidin-2-yl)-3-cyclohexylurea
CID 136084608
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957

Frequently Asked Questions

What is the IUPAC name of 4-(heptan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(heptan-2-ylamino)-1H-pyrimidin-6-one (CID 136956495) is 4-(heptan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(heptan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(heptan-2-ylamino)-1H-pyrimidin-6-one is CCCCCC(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(heptan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is DOAUEQQCAPJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-5-6-9(2)14-10-7-11(15)13-8-12-10/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(heptan-2-ylamino)-1H-pyrimidin-6-one?
4-(heptan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).