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

C12H19N5O — CID 136976670

IUPAC2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCN(Nc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C12H19N5O/c1-16-4-6-17(7-5-16)15-10-8-11(18)14-12(13-10)9-2-3-9/h8-9H,2-7H2,1H3,(H2,13,14,15,18)
InChIKeyPRCYDQPKRCSDMB-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.22
Rot. Bonds3

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

2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976670) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976670
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCN(Nc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C12H19N5O/c1-16-4-6-17(7-5-16)15-10-8-11(18)14-12(13-10)9-2-3-9/h8-9H,2-7H2,1H3,(H2,13,14,15,18)
InChIKeyPRCYDQPKRCSDMB-UHFFFAOYSA-N
XLogP0.22
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
CID 136976656
2-ethyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
CID 137016607
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016422
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 136976212
2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649
2-cyclopropyl-4-[(1-methylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974708
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one (CID 136976670) is 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one is CN1CCN(Nc2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is PRCYDQPKRCSDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16-4-6-17(7-5-16)15-10-8-11(18)14-12(13-10)9-2-3-9/h8-9H,2-7H2,1H3,(H2,13,14,15,18).
What are the key properties of 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 249.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).