6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

C15H10Cl2FN5S — CID 89020611

IUPAC6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(Cl)c2)n1
InChIInChI=1S/C15H10Cl2FN5S/c16-10-5-8(21-13-7-12(17)22-15(19)23-13)6-11(18)14(10)24-9-1-3-20-4-2-9/h1-7H,(H3,19,21,22,23)
InChIKeyWWDPOWJXTDBVHQ-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.79
Rot. Bonds4

About 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 89020611) has the molecular formula C15H10Cl2FN5S and a molecular weight of 382.25 g/mol. Its IUPAC name is 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID89020611
Molecular FormulaC15H10Cl2FN5S
Molecular Weight382.25 g/mol
Exact Mass381.00
IUPAC Name6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(Cl)c2)n1
InChIInChI=1S/C15H10Cl2FN5S/c16-10-5-8(21-13-7-12(17)22-15(19)23-13)6-11(18)14(10)24-9-1-3-20-4-2-9/h1-7H,(H3,19,21,22,23)
InChIKeyWWDPOWJXTDBVHQ-UHFFFAOYSA-N
XLogP4.79
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 745199
4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine
CID 9797449
6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 20819948
6-Chloro-2-[(4-phenylsulfanyl-2-pyridyl)methylsulfanyl]pyrimidin-4-amine
CID 492717
N,N'-bis(3-chloro-4-fluorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 5302485
10H-Pyrimido[5,4-b][1,4]benzothiazine, 8-chloro-
CID 171384015
4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 10126444
4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4,6-triamine
CID 10172035
6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N,4-N-dipropylpyrimidine-2,4,6-triamine
CID 10194481
6-chloro-4-N-(3,5-difluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 10215670
6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 10215736
4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 10236874

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (CID 89020611) is 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(Nc2cc(F)c(Sc3ccncc3)c(Cl)c2)n1.
What is the InChIKey of 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is WWDPOWJXTDBVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN5S/c16-10-5-8(21-13-7-12(17)22-15(19)23-13)6-11(18)14(10)24-9-1-3-20-4-2-9/h1-7H,(H3,19,21,22,23).
What are the key properties of 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 382.25 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3-chloro-5-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 89020611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).