N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C15H24N4O — CID 109340765

IUPACN-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N2CCC(C)CC2)ncn1
InChIInChI=1S/C15H24N4O/c1-4-12(3)18-15(20)13-9-14(17-10-16-13)19-7-5-11(2)6-8-19/h9-12H,4-8H2,1-3H3,(H,18,20)
InChIKeyGGHGQRDWYZAODK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds4

About N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109340765) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109340765
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N2CCC(C)CC2)ncn1
InChIInChI=1S/C15H24N4O/c1-4-12(3)18-15(20)13-9-14(17-10-16-13)19-7-5-11(2)6-8-19/h9-12H,4-8H2,1-3H3,(H,18,20)
InChIKeyGGHGQRDWYZAODK-UHFFFAOYSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338836
N,N-diethyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342197
N-[3-(dimethylamino)propyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342145
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342239
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168
N-(4-acetylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342268
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
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
N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342287
N-(4-cyanophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342313

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109340765) is N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(N2CCC(C)CC2)ncn1.
What is the InChIKey of N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is GGHGQRDWYZAODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-12(3)18-15(20)13-9-14(17-10-16-13)19-7-5-11(2)6-8-19/h9-12H,4-8H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).