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

C18H15Cl2FN4 — CID 112917319

IUPAC2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2F)nc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H15Cl2FN4/c1-11-9-16(22-10-12-5-2-3-7-14(12)21)25-18(23-11)24-15-8-4-6-13(19)17(15)20/h2-9H,10H2,1H3,(H2,22,23,24,25)
InChIKeyTUFAOMBDQZCNIK-UHFFFAOYSA-N
MW377.25 g/mol
LogP5.59
Rot. Bonds5

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

2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112917319) has the molecular formula C18H15Cl2FN4 and a molecular weight of 377.25 g/mol. Its IUPAC name is 2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112917319
Molecular FormulaC18H15Cl2FN4
Molecular Weight377.25 g/mol
Exact Mass376.07
IUPAC Name2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2F)nc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H15Cl2FN4/c1-11-9-16(22-10-12-5-2-3-7-14(12)21)25-18(23-11)24-15-8-4-6-13(19)17(15)20/h2-9H,10H2,1H3,(H2,22,23,24,25)
InChIKeyTUFAOMBDQZCNIK-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

2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917807
2-N-(5-chloro-2-methoxyphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917276
4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112917284
2-N-(3,5-dimethylphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917253
2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907868
4-N-(3,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917453
2-N-(2-chlorophenyl)-4-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918017
4-N-[(2-fluorophenyl)methyl]-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112917280
2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918282
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917412
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917241
4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112917792

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112917319) is 2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2ccccc2F)nc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is TUFAOMBDQZCNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4/c1-11-9-16(22-10-12-5-2-3-7-14(12)21)25-18(23-11)24-15-8-4-6-13(19)17(15)20/h2-9H,10H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
2-N-(2,3-dichlorophenyl)-4-N-[(2-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 2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112917319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).