6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide

C16H11ClFN5O2 — CID 162772505

IUPAC6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide
SMILESCn1cc(NC(=O)c2cc(-c3cc(F)cc(Cl)c3)ncn2)cnc1=O
InChIInChI=1S/C16H11ClFN5O2/c1-23-7-12(6-19-16(23)25)22-15(24)14-5-13(20-8-21-14)9-2-10(17)4-11(18)3-9/h2-8H,1H3,(H,22,24)
InChIKeyMWSWLYQIWURCAM-UHFFFAOYSA-N
MW359.75 g/mol
LogP2.28
Rot. Bonds3

About 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide

6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide (PubChem CID 162772505) has the molecular formula C16H11ClFN5O2 and a molecular weight of 359.75 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide
PubChem CID162772505
Molecular FormulaC16H11ClFN5O2
Molecular Weight359.75 g/mol
Exact Mass359.06
IUPAC Name6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide
SMILESCn1cc(NC(=O)c2cc(-c3cc(F)cc(Cl)c3)ncn2)cnc1=O
InChIInChI=1S/C16H11ClFN5O2/c1-23-7-12(6-19-16(23)25)22-15(24)14-5-13(20-8-21-14)9-2-10(17)4-11(18)3-9/h2-8H,1H3,(H,22,24)
InChIKeyMWSWLYQIWURCAM-UHFFFAOYSA-N
XLogP2.28
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chloro-5-fluorophenyl)-N-(4-methyl-3-oxopyrazin-2-yl)pyrimidine-4-carboxamide
CID 162772492
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
CID 24902118
6-(3,5-difluorophenyl)pyrimidine-4-carboxylic acid
CID 117000642
6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 67218380
6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide
CID 162772487
1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone
CID 175646991
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984
5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351
N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107370115
6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 44634057
2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540821

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide (CID 162772505) is 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide is Cn1cc(NC(=O)c2cc(-c3cc(F)cc(Cl)c3)ncn2)cnc1=O.
What is the InChIKey of 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide?
The InChIKey is MWSWLYQIWURCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O2/c1-23-7-12(6-19-16(23)25)22-15(24)14-5-13(20-8-21-14)9-2-10(17)4-11(18)3-9/h2-8H,1H3,(H,22,24).
What are the key properties of 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide?
6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide has a molecular weight of 359.75 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenyl)-N-(1-methyl-2-oxopyrimidin-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 162772505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).