4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

C18H15Cl2FN4 — CID 112917733

IUPAC4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)cc(Cl)c2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C18H15Cl2FN4/c1-11-6-17(24-16-8-13(19)7-14(20)9-16)25-18(23-11)22-10-12-2-4-15(21)5-3-12/h2-9H,10H2,1H3,(H2,22,23,24,25)
InChIKeyUWWDVAJGFJNVLT-UHFFFAOYSA-N
MW377.25 g/mol
LogP5.59
Rot. Bonds5

About 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112917733) has the molecular formula C18H15Cl2FN4 and a molecular weight of 377.25 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112917733
Molecular FormulaC18H15Cl2FN4
Molecular Weight377.25 g/mol
Exact Mass376.07
IUPAC Name4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(Cl)cc(Cl)c2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C18H15Cl2FN4/c1-11-6-17(24-16-8-13(19)7-14(20)9-16)25-18(23-11)22-10-12-2-4-15(21)5-3-12/h2-9H,10H2,1H3,(H2,22,23,24,25)
InChIKeyUWWDVAJGFJNVLT-UHFFFAOYSA-N
XLogP5.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.25
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,4-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917730
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918608
N-[4-[[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112917711
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891626
4-N-(3-chlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920884
4-[[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194273
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
4-N-(3,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916608
2-N-[(2-chlorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917471
4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112918052
2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917530
4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916596

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112917733) is 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cc(Cl)cc(Cl)c2)nc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is UWWDVAJGFJNVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4/c1-11-6-17(24-16-8-13(19)7-14(20)9-16)25-18(23-11)22-10-12-2-4-15(21)5-3-12/h2-9H,10H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 377.25 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112917733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).