N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

C16H17FN4O2 — CID 109324278

IUPACN-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17FN4O2/c1-11-10-14(15(22)19-13-4-2-12(17)3-5-13)20-16(18-11)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,22)
InChIKeyJVCNXLZAAYWTCX-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.01
Rot. Bonds3

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

N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109324278) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109324278
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17FN4O2/c1-11-10-14(15(22)19-13-4-2-12(17)3-5-13)20-16(18-11)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,22)
InChIKeyJVCNXLZAAYWTCX-UHFFFAOYSA-N
XLogP2.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
6-methyl-2-morpholin-4-yl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109324299
N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324293
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324279
N-(2,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324340
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109331795
5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122326053
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325855
N-(2-ethyl-6-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324269

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 109324278) is N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is JVCNXLZAAYWTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-11-10-14(15(22)19-13-4-2-12(17)3-5-13)20-16(18-11)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).