2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

C18H24N6O2 — CID 90546186

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCc1ncn(CC(=O)Nc2cc(N3CCC(C)CC3)ncn2)c(=O)c1C
InChIInChI=1S/C18H24N6O2/c1-12-4-6-23(7-5-12)16-8-15(19-10-20-16)22-17(25)9-24-11-21-14(3)13(2)18(24)26/h8,10-12H,4-7,9H2,1-3H3,(H,19,20,22,25)
InChIKeyCROXHSALFUEPBY-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.53
Rot. Bonds4

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 90546186) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID90546186
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCc1ncn(CC(=O)Nc2cc(N3CCC(C)CC3)ncn2)c(=O)c1C
InChIInChI=1S/C18H24N6O2/c1-12-4-6-23(7-5-12)16-8-15(19-10-20-16)22-17(25)9-24-11-21-14(3)13(2)18(24)26/h8,10-12H,4-7,9H2,1-3H3,(H,19,20,22,25)
InChIKeyCROXHSALFUEPBY-UHFFFAOYSA-N
XLogP1.53
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (CID 90546186) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is Cc1ncn(CC(=O)Nc2cc(N3CCC(C)CC3)ncn2)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is CROXHSALFUEPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-4-6-23(7-5-12)16-8-15(19-10-20-16)22-17(25)9-24-11-21-14(3)13(2)18(24)26/h8,10-12H,4-7,9H2,1-3H3,(H,19,20,22,25).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 90546186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).