6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide

C14H22N4O — CID 109338836

IUPAC6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)NC(C)C)ncn2)CC1
InChIInChI=1S/C14H22N4O/c1-10(2)17-14(19)12-8-13(16-9-15-12)18-6-4-11(3)5-7-18/h8-11H,4-7H2,1-3H3,(H,17,19)
InChIKeyMBMRFPPZYCKMQY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.85
Rot. Bonds3

About 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide

6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109338836) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109338836
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)NC(C)C)ncn2)CC1
InChIInChI=1S/C14H22N4O/c1-10(2)17-14(19)12-8-13(16-9-15-12)18-6-4-11(3)5-7-18/h8-11H,4-7H2,1-3H3,(H,17,19)
InChIKeyMBMRFPPZYCKMQY-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109340765
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342239
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342307
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
N-[3-(dimethylamino)propyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342145
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338891
N-(4-acetylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342268
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342162
6-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340461

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide (CID 109338836) is 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide is CC1CCN(c2cc(C(=O)NC(C)C)ncn2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MBMRFPPZYCKMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)17-14(19)12-8-13(16-9-15-12)18-6-4-11(3)5-7-18/h8-11H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).