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

C18H15F3N4 — CID 10125953

IUPAC5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N4/c19-18(20,21)14-9-5-4-8-12(14)15-13(10-22)16(23)25-17(24-15)11-6-2-1-3-7-11/h1-9H,10,22H2,(H2,23,24,25)
InChIKeyYMBVUXDMUNIMIL-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.87
Rot. Bonds3

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

5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 10125953) has the molecular formula C18H15F3N4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID10125953
Molecular FormulaC18H15F3N4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N4/c19-18(20,21)14-9-5-4-8-12(14)15-13(10-22)16(23)25-17(24-15)11-6-2-1-3-7-11/h1-9H,10,22H2,(H2,23,24,25)
InChIKeyYMBVUXDMUNIMIL-UHFFFAOYSA-N
XLogP3.87
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
CID 10126186
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenyl)pyrimidin-4-amine
CID 10286977
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
4-Amino-2,6-diphenylpyrimidine
CID 619020
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 10125953) is 5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is NCc1c(N)nc(-c2ccccc2)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is YMBVUXDMUNIMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4/c19-18(20,21)14-9-5-4-8-12(14)15-13(10-22)16(23)25-17(24-15)11-6-2-1-3-7-11/h1-9H,10,22H2,(H2,23,24,25).
What are the key properties of 5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 344.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 10125953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).