N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine

C14H14F3N3 — CID 62190941

IUPACN-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-7(2)11-6-12(18-3)20-14(19-11)8-4-9(15)13(17)10(16)5-8/h4-7H,1-3H3,(H,18,19,20)
InChIKeyBINRFKMGUHYCEX-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.73
Rot. Bonds3

About N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine

N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 62190941) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID62190941
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C14H14F3N3/c1-7(2)11-6-12(18-3)20-14(19-11)8-4-9(15)13(17)10(16)5-8/h4-7H,1-3H3,(H,18,19,20)
InChIKeyBINRFKMGUHYCEX-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine (CID 62190941) is N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine is CNc1cc(C(C)C)nc(-c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is BINRFKMGUHYCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-7(2)11-6-12(18-3)20-14(19-11)8-4-9(15)13(17)10(16)5-8/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 62190941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).