2-(heptan-3-ylamino)-1H-pyrimidin-6-one

C11H19N3O — CID 22182970

IUPAC2-(heptan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCCCC(CC)Nc1nccc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-3-5-6-9(4-2)13-11-12-8-7-10(15)14-11/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyMTUBFYKAVHKRRT-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.15
Rot. Bonds6

About 2-(heptan-3-ylamino)-1H-pyrimidin-6-one

2-(heptan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 22182970) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(heptan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(heptan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID22182970
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(heptan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCCCC(CC)Nc1nccc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-3-5-6-9(4-2)13-11-12-8-7-10(15)14-11/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyMTUBFYKAVHKRRT-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

Analyze 2-(heptan-3-ylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(heptan-3-ylamino)-1H-pyrimidin-6-one (CID 22182970) is 2-(heptan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(heptan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(heptan-3-ylamino)-1H-pyrimidin-6-one is CCCCC(CC)Nc1nccc(=O)[nH]1.
What is the InChIKey of 2-(heptan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is MTUBFYKAVHKRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-6-9(4-2)13-11-12-8-7-10(15)14-11/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-(heptan-3-ylamino)-1H-pyrimidin-6-one?
2-(heptan-3-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 2-(heptan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 22182970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).