N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine

C15H11ClFN5OS — CID 143967072

IUPACN-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine
SMILESCS(=O)c1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cncnc1
InChIInChI=1S/C15H11ClFN5OS/c1-24(23)14-11(9-5-18-8-19-6-9)7-20-15(22-14)21-10-2-3-13(17)12(16)4-10/h2-8H,1H3,(H,20,21,22)
InChIKeyQCZYCZQLBNPJCE-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.21
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine

N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine (PubChem CID 143967072) has the molecular formula C15H11ClFN5OS and a molecular weight of 363.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine
PubChem CID143967072
Molecular FormulaC15H11ClFN5OS
Molecular Weight363.81 g/mol
Exact Mass363.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine
SMILESCS(=O)c1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cncnc1
InChIInChI=1S/C15H11ClFN5OS/c1-24(23)14-11(9-5-18-8-19-6-9)7-20-15(22-14)21-10-2-3-13(17)12(16)4-10/h2-8H,1H3,(H,20,21,22)
InChIKeyQCZYCZQLBNPJCE-UHFFFAOYSA-N
XLogP3.21
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-chloro-4-fluoroanilino)-5-pyrimidin-5-ylpyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 59353943
1-[2-(3-chloro-4-fluoroanilino)-5-pyrimidin-5-ylpyrimidin-4-yl]pyrrolidin-3-ol
CID 59354474
[1-[2-(3-chloro-4-fluoroanilino)-5-pyrimidin-5-ylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 59354561
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
CID 63208281
5-[2-(3-chloro-4-fluoroanilino)-4-methylpyrimidin-5-yl]-N-methoxypyridine-3-carboxamide
CID 59353417
5-[2-(3-chloro-4-fluoroanilino)-4-(2,5-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59354582
5-[2-(3-chloro-4-fluoroanilino)-4-(4-chloropyrazol-1-yl)pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353282
6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride
CID 142637448
5-[4-(2-acetamidoethylamino)-2-(3-chloro-4-fluoroanilino)pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353716
5-[2-(3-chloro-4-fluoroanilino)-4-pyrrol-1-ylpyrimidin-5-yl]-N-methoxypyridine-3-carboxamide
CID 87528910
N-(3-chloro-4-fluorophenyl)-7-methylpurin-2-amine
CID 167986934
5-[4-[(4-amino-1,1,5,5-tetrafluoropent-3-en-2-ylidene)amino]-2-(3-chloro-4-fluoroanilino)pyrimidin-5-yl]-N-methoxypyridine-3-carboxamide
CID 162601543

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine (CID 143967072) is N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine is CS(=O)c1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cncnc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine?
The InChIKey is QCZYCZQLBNPJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5OS/c1-24(23)14-11(9-5-18-8-19-6-9)7-20-15(22-14)21-10-2-3-13(17)12(16)4-10/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine?
N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine has a molecular weight of 363.81 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-methylsulfinyl-5-pyrimidin-5-ylpyrimidin-2-amine is sourced from PubChem (CID 143967072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).