N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C16H17FN4O — CID 109321642

IUPACN-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C16H17FN4O/c1-11-10-14(20-16(18-11)21-8-2-3-9-21)15(22)19-13-6-4-12(17)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyVOFGKKDZHRCFBR-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.78
Rot. Bonds3

About N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109321642) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109321642
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C16H17FN4O/c1-11-10-14(20-16(18-11)21-8-2-3-9-21)15(22)19-13-6-4-12(17)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyVOFGKKDZHRCFBR-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
2-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109334404
2-(azepan-1-yl)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334416
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334378
6-methyl-N-(4-phenoxyphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322398
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640
2-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334370
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325855
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109321642) is N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2)nc(N2CCCC2)n1.
What is the InChIKey of N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is VOFGKKDZHRCFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-11-10-14(20-16(18-11)21-8-2-3-9-21)15(22)19-13-6-4-12(17)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).