4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

C12H19N5O — CID 80844651

IUPAC4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCNc1nc(C)nc(N2CCN(C)C(=O)C2)c1C
InChIInChI=1S/C12H19N5O/c1-8-11(13-3)14-9(2)15-12(8)17-6-5-16(4)10(18)7-17/h5-7H2,1-4H3,(H,13,14,15)
InChIKeyPJNJEUVNEXAZEI-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.41
Rot. Bonds2

About 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 80844651) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID80844651
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCNc1nc(C)nc(N2CCN(C)C(=O)C2)c1C
InChIInChI=1S/C12H19N5O/c1-8-11(13-3)14-9(2)15-12(8)17-6-5-16(4)10(18)7-17/h5-7H2,1-4H3,(H,13,14,15)
InChIKeyPJNJEUVNEXAZEI-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887894
6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795535
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 81006102
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107819
6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
6-(3,4-dimethoxypyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 103541950
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 80805607
N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419461
6-[3-(dimethylamino)piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 80856401
4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80844331
4-[5-bromo-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 114072849

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 80844651) is 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is CNc1nc(C)nc(N2CCN(C)C(=O)C2)c1C.
What is the InChIKey of 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is PJNJEUVNEXAZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-11(13-3)14-9(2)15-12(8)17-6-5-16(4)10(18)7-17/h5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 80844651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).