6-piperidin-1-ylpyrimidine-2,4-dicarboxamide

C11H15N5O2 — CID 68522390

IUPAC6-piperidin-1-ylpyrimidine-2,4-dicarboxamide
SMILESNC(=O)c1cc(N2CCCCC2)nc(C(N)=O)n1
InChIInChI=1S/C11H15N5O2/c12-9(17)7-6-8(15-11(14-7)10(13)18)16-4-2-1-3-5-16/h6H,1-5H2,(H2,12,17)(H2,13,18)
InChIKeyLJHHZXFCDBMAOF-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.34
Rot. Bonds3

About 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide

6-piperidin-1-ylpyrimidine-2,4-dicarboxamide (PubChem CID 68522390) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-piperidin-1-ylpyrimidine-2,4-dicarboxamide
PubChem CID68522390
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name6-piperidin-1-ylpyrimidine-2,4-dicarboxamide
SMILESNC(=O)c1cc(N2CCCCC2)nc(C(N)=O)n1
InChIInChI=1S/C11H15N5O2/c12-9(17)7-6-8(15-11(14-7)10(13)18)16-4-2-1-3-5-16/h6H,1-5H2,(H2,12,17)(H2,13,18)
InChIKeyLJHHZXFCDBMAOF-UHFFFAOYSA-N
XLogP-0.34
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-2-chloropyrimidine-4-carboxamide
CID 240908
[2-Methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538768
[6-(2-Methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538798
1-[2-Methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 75538833
6-(dimethylamino)-N-ethyl-2-methoxypyrimidine-4-carboxamide
CID 122180008
2,6-Diaminopyrimidine-4-carboxamide
CID 240909
Pyrimidine dicarboxamide
CID 68833476
6-(1-Piperidinyl)-2,4-pyrimidinediamide 3-oxide
CID 129867196
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 50976603
6-(piperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628643
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 97074666
(3S)-4-(2,6-dimethylpyrimidine-4-carbonyl)-1-ethyl-3-methylpiperazin-2-one
CID 100020176

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide?
The IUPAC name of 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide (CID 68522390) is 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide.
What is the SMILES notation for 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide?
The canonical SMILES for 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide is NC(=O)c1cc(N2CCCCC2)nc(C(N)=O)n1.
What is the InChIKey of 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide?
The InChIKey is LJHHZXFCDBMAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c12-9(17)7-6-8(15-11(14-7)10(13)18)16-4-2-1-3-5-16/h6H,1-5H2,(H2,12,17)(H2,13,18).
What are the key properties of 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide?
6-piperidin-1-ylpyrimidine-2,4-dicarboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylpyrimidine-2,4-dicarboxamide is sourced from PubChem (CID 68522390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).