2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C12H18N4O — CID 136734040

IUPAC2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2cc(=O)[nH]c(C3CC3)n2)CCNC1
InChIInChI=1S/C12H18N4O/c1-12(4-5-13-7-12)16-9-6-10(17)15-11(14-9)8-2-3-8/h6,8,13H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyVCUFLJSRVSNOTJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.81
Rot. Bonds3

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

2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136734040) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136734040
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2cc(=O)[nH]c(C3CC3)n2)CCNC1
InChIInChI=1S/C12H18N4O/c1-12(4-5-13-7-12)16-9-6-10(17)15-11(14-9)8-2-3-8/h6,8,13H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyVCUFLJSRVSNOTJ-UHFFFAOYSA-N
XLogP0.81
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974111
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
4-(dimethylamino)-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136326816
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817
4-pyrrolidin-1-yl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136345035
4-amino-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136377057
2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672451
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672452
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
4-(3-amino-4-methylpyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136677202
4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136677203
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136734040) is 2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CC1(Nc2cc(=O)[nH]c(C3CC3)n2)CCNC1.
What is the InChIKey of 2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VCUFLJSRVSNOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(4-5-13-7-12)16-9-6-10(17)15-11(14-9)8-2-3-8/h6,8,13H,2-5,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136734040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).