2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one

C15H24N4O — CID 136974576

IUPAC2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)N1CCC(CNc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H24N4O/c1-10(2)19-6-5-11(9-19)8-16-13-7-14(20)18-15(17-13)12-3-4-12/h7,10-12H,3-6,8-9H2,1-2H3,(H2,16,17,18,20)
InChIKeyNEFUFJAGXNRIOS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds5

About 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974576) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974576
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)N1CCC(CNc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H24N4O/c1-10(2)19-6-5-11(9-19)8-16-13-7-14(20)18-15(17-13)12-3-4-12/h7,10-12H,3-6,8-9H2,1-2H3,(H2,16,17,18,20)
InChIKeyNEFUFJAGXNRIOS-UHFFFAOYSA-N
XLogP1.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-chloro-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 62482811
4-[(1-methylpyrrolidin-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974125
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 61253592
2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80957220
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile
CID 114766146
6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80908827
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide
CID 114767545
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136974576) is 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is CC(C)N1CCC(CNc2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is NEFUFJAGXNRIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10(2)19-6-5-11(9-19)8-16-13-7-14(20)18-15(17-13)12-3-4-12/h7,10-12H,3-6,8-9H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).