2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide

C24H27FN6O — CID 110084879

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1cc(C)nc(N2CCC(c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)CC2)n1
InChIInChI=1S/C24H27FN6O/c1-15-12-16(2)29-24(28-15)31-10-8-19(9-11-31)22-26-14-21(17(3)30-22)23(32)27-13-18-4-6-20(25)7-5-18/h4-7,12,14,19H,8-11,13H2,1-3H3,(H,27,32)
InChIKeyJNRLWIOPCGKVAZ-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.64
Rot. Bonds5

About 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide

2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110084879) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID110084879
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1cc(C)nc(N2CCC(c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)CC2)n1
InChIInChI=1S/C24H27FN6O/c1-15-12-16(2)29-24(28-15)31-10-8-19(9-11-31)22-26-14-21(17(3)30-22)23(32)27-13-18-4-6-20(25)7-5-18/h4-7,12,14,19H,8-11,13H2,1-3H3,(H,27,32)
InChIKeyJNRLWIOPCGKVAZ-UHFFFAOYSA-N
XLogP3.64
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide
CID 110082218
N-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 92639497
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084882
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639674
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110084695
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614
2-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639870
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-phenylacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92636020
2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639602
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806063

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide (CID 110084879) is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide is Cc1cc(C)nc(N2CCC(c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)CC2)n1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is JNRLWIOPCGKVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-15-12-16(2)29-24(28-15)31-10-8-19(9-11-31)22-26-14-21(17(3)30-22)23(32)27-13-18-4-6-20(25)7-5-18/h4-7,12,14,19H,8-11,13H2,1-3H3,(H,27,32).
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).