4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O — CID 136870775

IUPAC4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-8(2)12-14-10(7-11(17)15-12)16-13(3,4)9-5-6-9/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyFPMHYRWVXICXSX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds4

About 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136870775) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136870775
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-8(2)12-14-10(7-11(17)15-12)16-13(3,4)9-5-6-9/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyFPMHYRWVXICXSX-UHFFFAOYSA-N
XLogP2.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-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 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136870775) is 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC(C)(C)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FPMHYRWVXICXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)12-14-10(7-11(17)15-12)16-13(3,4)9-5-6-9/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).