1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one

C12H15N3O2 — CID 10192722

IUPAC1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one
SMILESCc1ncnc(C)c1C(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H15N3O2/c1-8-11(9(2)14-7-13-8)12(17)15-5-3-10(16)4-6-15/h7H,3-6H2,1-2H3
InChIKeyAJHNINIQLLSGRM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.90
Rot. Bonds1

About 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one

1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one (PubChem CID 10192722) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one
PubChem CID10192722
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one
SMILESCc1ncnc(C)c1C(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H15N3O2/c1-8-11(9(2)14-7-13-8)12(17)15-5-3-10(16)4-6-15/h7H,3-6H2,1-2H3
InChIKeyAJHNINIQLLSGRM-UHFFFAOYSA-N
XLogP0.90
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one?
The IUPAC name of 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one (CID 10192722) is 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one is Cc1ncnc(C)c1C(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one?
The InChIKey is AJHNINIQLLSGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-11(9(2)14-7-13-8)12(17)15-5-3-10(16)4-6-15/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one?
1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-one is sourced from PubChem (CID 10192722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).