1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one

C18H25N5O — CID 154882591

IUPAC1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCc1nc(C)c(C)c(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1
InChIInChI=1S/C18H25N5O/c1-13-14(2)19-15(3)20-18(13)23-9-7-22(8-10-23)12-16-5-6-21(4)17(24)11-16/h5-6,11H,7-10,12H2,1-4H3
InChIKeyBVNUYTKNWUMPBA-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.42
Rot. Bonds3

About 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one

1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 154882591) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID154882591
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCc1nc(C)c(C)c(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1
InChIInChI=1S/C18H25N5O/c1-13-14(2)19-15(3)20-18(13)23-9-7-22(8-10-23)12-16-5-6-21(4)17(24)11-16/h5-6,11H,7-10,12H2,1-4H3
InChIKeyBVNUYTKNWUMPBA-UHFFFAOYSA-N
XLogP1.42
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one (CID 154882591) is 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one is Cc1nc(C)c(C)c(N2CCN(Cc3ccn(C)c(=O)c3)CC2)n1.
What is the InChIKey of 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is BVNUYTKNWUMPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-14(2)19-15(3)20-18(13)23-9-7-22(8-10-23)12-16-5-6-21(4)17(24)11-16/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one?
1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 327.43 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 154882591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).