4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C15H20N6O2 — CID 133336876

IUPAC4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCOCc1nc(C)cc(N2CCN(c3cnn(C)c3)C(=O)C2)n1
InChIInChI=1S/C15H20N6O2/c1-11-6-14(18-13(17-11)10-23-3)20-4-5-21(15(22)9-20)12-7-16-19(2)8-12/h6-8H,4-5,9-10H2,1-3H3
InChIKeyNBDKKGXINGUKLR-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.52
Rot. Bonds4

About 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 133336876) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID133336876
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCOCc1nc(C)cc(N2CCN(c3cnn(C)c3)C(=O)C2)n1
InChIInChI=1S/C15H20N6O2/c1-11-6-14(18-13(17-11)10-23-3)20-4-5-21(15(22)9-20)12-7-16-19(2)8-12/h6-8H,4-5,9-10H2,1-3H3
InChIKeyNBDKKGXINGUKLR-UHFFFAOYSA-N
XLogP0.52
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine
CID 125424003
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054198
4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 155974492
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
4-(6-cyclohexyloxypyrazin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 127909579
N-cyclopropyl-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 133381181
2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine
CID 126822851
(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 98204954
(3aS,7aS)-2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 95971172
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 133336876) is 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is COCc1nc(C)cc(N2CCN(c3cnn(C)c3)C(=O)C2)n1.
What is the InChIKey of 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is NBDKKGXINGUKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-6-14(18-13(17-11)10-23-3)20-4-5-21(15(22)9-20)12-7-16-19(2)8-12/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 316.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 133336876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).