5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C18H13Cl2F3N4 — CID 10237877

IUPAC5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2F3N4/c19-11-5-6-12(14(20)7-11)15-13(8-24)16(25)27-17(26-15)9-1-3-10(4-2-9)18(21,22)23/h1-7H,8,24H2,(H2,25,26,27)
InChIKeyHQTMVECTONHOFD-UHFFFAOYSA-N
MW413.23 g/mol
LogP5.18
Rot. Bonds3

About 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 10237877) has the molecular formula C18H13Cl2F3N4 and a molecular weight of 413.23 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID10237877
Molecular FormulaC18H13Cl2F3N4
Molecular Weight413.23 g/mol
Exact Mass412.05
IUPAC Name5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2F3N4/c19-11-5-6-12(14(20)7-11)15-13(8-24)16(25)27-17(26-15)9-1-3-10(4-2-9)18(21,22)23/h1-7H,8,24H2,(H2,25,26,27)
InChIKeyHQTMVECTONHOFD-UHFFFAOYSA-N
XLogP5.18
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.23
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 25098114
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
CID 10126186
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-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676
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
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidin-4-amine
CID 10215628
5-(Aminomethyl)-2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
CID 10309373
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine
CID 11688776

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 10237877) is 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is NCc1c(N)nc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is HQTMVECTONHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N4/c19-11-5-6-12(14(20)7-11)15-13(8-24)16(25)27-17(26-15)9-1-3-10(4-2-9)18(21,22)23/h1-7H,8,24H2,(H2,25,26,27).
What are the key properties of 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 413.23 g/mol, XLogP of 5.18, 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-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 10237877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).