2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile

C17H10Cl2FN5 — CID 169397259

IUPAC2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C17H10Cl2FN5/c18-10-3-9(4-11(19)6-10)8-1-2-12(14(20)5-8)15-13(7-21)16(22)25-17(23)24-15/h1-6H,(H4,22,23,24,25)
InChIKeyDBQSLMOQLBAORE-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.29
Rot. Bonds2

About 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile (PubChem CID 169397259) has the molecular formula C17H10Cl2FN5 and a molecular weight of 374.21 g/mol. Its IUPAC name is 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile
PubChem CID169397259
Molecular FormulaC17H10Cl2FN5
Molecular Weight374.21 g/mol
Exact Mass373.03
IUPAC Name2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C17H10Cl2FN5/c18-10-3-9(4-11(19)6-10)8-1-2-12(14(20)5-8)15-13(7-21)16(22)25-17(23)24-15/h1-6H,(H4,22,23,24,25)
InChIKeyDBQSLMOQLBAORE-UHFFFAOYSA-N
XLogP4.29
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile 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

2,4-diamino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396194
2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
CID 169396041
2,4-diamino-6-(3-bromo-2,4-difluorophenyl)pyrimidine-5-carbonitrile
CID 169397709
2,4-diamino-6-[4-chloro-2-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396382
2,4-diamino-6-(6-chloro-2,3-difluorophenyl)pyrimidine-5-carbonitrile
CID 169396291
2,4-diamino-6-[3-(2,4-difluorophenyl)phenyl]pyrimidine-5-carbonitrile
CID 169396904
2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394270
2,4-diamino-6-(2-bromo-3,5-difluorophenyl)pyrimidine-5-carbonitrile
CID 169396365
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
2,4-diamino-6-[3-(bromomethyl)-4-fluorophenyl]pyrimidine-5-carbonitrile
CID 169398795
2,4-diamino-6-(6-fluoro-1,3-benzodioxol-5-yl)pyrimidine-5-carbonitrile
CID 169396804
2,4-diamino-6-(3-fluoro-4-methylsulfonylphenyl)pyrimidine-5-carbonitrile
CID 169398695

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile (CID 169397259) is 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F.
What is the InChIKey of 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile?
The InChIKey is DBQSLMOQLBAORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN5/c18-10-3-9(4-11(19)6-10)8-1-2-12(14(20)5-8)15-13(7-21)16(22)25-17(23)24-15/h1-6H,(H4,22,23,24,25).
What are the key properties of 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile has a molecular weight of 374.21 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169397259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).