4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one

C12H18N4O — CID 136956395

IUPAC4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCN(C3CC3)C2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O/c1-8-13-11(6-12(17)14-8)15-9-4-5-16(7-9)10-2-3-10/h6,9-10H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyNKNBIDWQROFZHL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.73
Rot. Bonds3

About 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956395) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956395
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCN(C3CC3)C2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O/c1-8-13-11(6-12(17)14-8)15-9-4-5-16(7-9)10-2-3-10/h6,9-10H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyNKNBIDWQROFZHL-UHFFFAOYSA-N
XLogP0.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136956395) is 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2CCN(C3CC3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NKNBIDWQROFZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-13-11(6-12(17)14-8)15-9-4-5-16(7-9)10-2-3-10/h6,9-10H,2-5,7H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).