4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one

C20H29N5O — CID 154582463

IUPAC4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCc1nc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)cc(C(C)(C)C)n1
InChIInChI=1S/C20H29N5O/c1-15-21-17(20(2,3)4)13-18(22-15)25-10-8-24(9-11-25)14-16-6-7-23(5)19(26)12-16/h6-7,12-13H,8-11,14H2,1-5H3
InChIKeyGRBPSTSXHYMXDS-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.10
Rot. Bonds3

About 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 154582463) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID154582463
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCc1nc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)cc(C(C)(C)C)n1
InChIInChI=1S/C20H29N5O/c1-15-21-17(20(2,3)4)13-18(22-15)25-10-8-24(9-11-25)14-16-6-7-23(5)19(26)12-16/h6-7,12-13H,8-11,14H2,1-5H3
InChIKeyGRBPSTSXHYMXDS-UHFFFAOYSA-N
XLogP2.10
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 154882632
1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one
CID 154882591
4-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methyl]-1-methylpyridin-2-one
CID 163350558
4-[[4-[2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 155980384
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
4-[[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126910675
2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 171326651
1-methyl-4-[[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]methyl]pyridin-2-one
CID 146125264
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891261
1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one
CID 56813780
2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 172881002

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one (CID 154582463) is 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one is Cc1nc(N2CCN(Cc3ccn(C)c(=O)c3)CC2)cc(C(C)(C)C)n1.
What is the InChIKey of 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is GRBPSTSXHYMXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-21-17(20(2,3)4)13-18(22-15)25-10-8-24(9-11-25)14-16-6-7-23(5)19(26)12-16/h6-7,12-13H,8-11,14H2,1-5H3.
What are the key properties of 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 355.49 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 154582463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).