2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine

C17H12Cl2F2N4 — CID 112932110

IUPAC2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(F)cc2F)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H12Cl2F2N4/c1-9-6-16(24-15-5-2-10(20)7-14(15)21)25-17(22-9)23-11-3-4-12(18)13(19)8-11/h2-8H,1H3,(H2,22,23,24,25)
InChIKeyRTDNLNGIHLNSDO-UHFFFAOYSA-N
MW381.21 g/mol
LogP5.86
Rot. Bonds4

About 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine

2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112932110) has the molecular formula C17H12Cl2F2N4 and a molecular weight of 381.21 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112932110
Molecular FormulaC17H12Cl2F2N4
Molecular Weight381.21 g/mol
Exact Mass380.04
IUPAC Name2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(F)cc2F)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H12Cl2F2N4/c1-9-6-16(24-15-5-2-10(20)7-14(15)21)25-17(22-9)23-11-3-4-12(18)13(19)8-11/h2-8H,1H3,(H2,22,23,24,25)
InChIKeyRTDNLNGIHLNSDO-UHFFFAOYSA-N
XLogP5.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.21
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-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

4-N-(2,4-difluorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930755
4-N-(2,4-difluorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931722
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
2-N-(3-bromophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931953
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929302
4-N-(2,4-dichlorophenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932200
4-N-(4-bromophenyl)-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930386
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930365
4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930110
2-N-(3-chloro-4-methylphenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930142
4-N-(3,4-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917730
2-N-(2,4-difluorophenyl)-4-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928401

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112932110) is 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(F)cc2F)nc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RTDNLNGIHLNSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N4/c1-9-6-16(24-15-5-2-10(20)7-14(15)21)25-17(22-9)23-11-3-4-12(18)13(19)8-11/h2-8H,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 381.21 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).