N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

C17H20FN5O — CID 46345531

IUPACN-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H20FN5O/c1-12-13(16(24)21-15-6-4-3-5-14(15)18)11-19-17(20-12)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H,21,24)
InChIKeyMMAQALMDHSOGCE-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.93
Rot. Bonds3

About N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 46345531) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID46345531
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC NameN-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H20FN5O/c1-12-13(16(24)21-15-6-4-3-5-14(15)18)11-19-17(20-12)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H,21,24)
InChIKeyMMAQALMDHSOGCE-UHFFFAOYSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345549
4-methyl-2-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 66504153
4-methyl-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504141
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
N-(3-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345557
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109262320
4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143993
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505284
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 46345531) is N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is Cc1nc(N2CCN(C)CC2)ncc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is MMAQALMDHSOGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-12-13(16(24)21-15-6-4-3-5-14(15)18)11-19-17(20-12)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 46345531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).