5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine

C17H13Cl2FN4 — CID 10126186

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2FN4/c18-10-3-6-12(14(19)7-10)15-13(8-21)16(22)24-17(23-15)9-1-4-11(20)5-2-9/h1-7H,8,21H2,(H2,22,23,24)
InChIKeyOVTWFYBUKKHDFE-UHFFFAOYSA-N
MW363.22 g/mol
LogP4.30
Rot. Bonds3

About 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine (PubChem CID 10126186) has the molecular formula C17H13Cl2FN4 and a molecular weight of 363.22 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
PubChem CID10126186
Molecular FormulaC17H13Cl2FN4
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2FN4/c18-10-3-6-12(14(19)7-10)15-13(8-21)16(22)24-17(23-15)9-1-4-11(20)5-2-9/h1-7H,8,21H2,(H2,22,23,24)
InChIKeyOVTWFYBUKKHDFE-UHFFFAOYSA-N
XLogP4.30
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimethamine
CID 4993
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
2-Tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 25098114
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenyl)pyrimidin-4-amine
CID 10286977
5-(4-Chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
CID 23423608
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine
CID 10172376
5-(Aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
CID 10172681
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine
CID 10172706
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10173174

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine (CID 10126186) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine is NCc1c(N)nc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is OVTWFYBUKKHDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN4/c18-10-3-6-12(14(19)7-10)15-13(8-21)16(22)24-17(23-15)9-1-4-11(20)5-2-9/h1-7H,8,21H2,(H2,22,23,24).
What are the key properties of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 363.22 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 10126186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).