N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

C16H16ClFN4O2 — CID 66504421

IUPACN-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN4O2/c1-10-12(9-19-16(20-10)22-4-6-24-7-5-22)15(23)21-11-2-3-14(18)13(17)8-11/h2-3,8-9H,4-7H2,1H3,(H,21,23)
InChIKeyFJUZGVNVXNKWKK-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.67
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide

N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 66504421) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID66504421
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN4O2/c1-10-12(9-19-16(20-10)22-4-6-24-7-5-22)15(23)21-11-2-3-14(18)13(17)8-11/h2-3,8-9H,4-7H2,1H3,(H,21,23)
InChIKeyFJUZGVNVXNKWKK-UHFFFAOYSA-N
XLogP2.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-(3,4-difluorophenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519
4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
CID 66504049
N-(3,4-difluorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504094
N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959635
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504126
N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 20959576
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 66504421) is N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is FJUZGVNVXNKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c1-10-12(9-19-16(20-10)22-4-6-24-7-5-22)15(23)21-11-2-3-14(18)13(17)8-11/h2-3,8-9H,4-7H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 350.78 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 66504421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).