4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide

C15H24N4O — CID 66505240

IUPAC4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCC(C)CC2)ncc1C(=O)NC(C)C
InChIInChI=1S/C15H24N4O/c1-10(2)17-14(20)13-9-16-15(18-12(13)4)19-7-5-11(3)6-8-19/h9-11H,5-8H2,1-4H3,(H,17,20)
InChIKeyYPXSBCDIHBZESW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds3

About 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide

4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 66505240) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID66505240
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCC(C)CC2)ncc1C(=O)NC(C)C
InChIInChI=1S/C15H24N4O/c1-10(2)17-14(20)13-9-16-15(18-12(13)4)19-7-5-11(3)6-8-19/h9-11H,5-8H2,1-4H3,(H,17,20)
InChIKeyYPXSBCDIHBZESW-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083
N-(4-hydroxyphenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504118
N-(3,5-dichlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504114
N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504094
4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83181005
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 46345501
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 23548275
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 91007516

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide (CID 66505240) is 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide is Cc1nc(N2CCC(C)CC2)ncc1C(=O)NC(C)C.
What is the InChIKey of 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is YPXSBCDIHBZESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10(2)17-14(20)13-9-16-15(18-12(13)4)19-7-5-11(3)6-8-19/h9-11H,5-8H2,1-4H3,(H,17,20).
What are the key properties of 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide?
4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 66505240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).