1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide

C12H18N4O — CID 172899276

IUPAC1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1ncnc(N2CCCC(C(N)=O)C2)c1C
InChIInChI=1S/C12H18N4O/c1-8-9(2)14-7-15-12(8)16-5-3-4-10(6-16)11(13)17/h7,10H,3-6H2,1-2H3,(H2,13,17)
InChIKeyKJRFZCSJZDIWEO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.80
Rot. Bonds2

About 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide

1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 172899276) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID172899276
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1ncnc(N2CCCC(C(N)=O)C2)c1C
InChIInChI=1S/C12H18N4O/c1-8-9(2)14-7-15-12(8)16-5-3-4-10(6-16)11(13)17/h7,10H,3-6H2,1-2H3,(H2,13,17)
InChIKeyKJRFZCSJZDIWEO-UHFFFAOYSA-N
XLogP0.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-aminopyrimidin-4-yl)piperidine-3-carboxamide
CID 79910682
(3S)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 94184844
[1-(5,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434655
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
(1-cyclopentylpiperidin-3-yl)-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 72940576
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
1-(6-amino-3,5-dichloro-2-pyridinyl)piperidine-3-carboxamide
CID 102754346
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide (CID 172899276) is 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1ncnc(N2CCCC(C(N)=O)C2)c1C.
What is the InChIKey of 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is KJRFZCSJZDIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-9(2)14-7-15-12(8)16-5-3-4-10(6-16)11(13)17/h7,10H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide?
1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 172899276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).