N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine

C13H12F3N3 — CID 115503288

IUPACN,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2cc(F)c(F)cc2F)c1C
InChIInChI=1S/C13H12F3N3/c1-6-12(18-7(2)19-13(6)17-3)8-4-10(15)11(16)5-9(8)14/h4-5H,1-3H3,(H,17,18,19)
InChIKeyHQVUBCVZWFVDPO-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.22
Rot. Bonds2

About N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine

N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 115503288) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID115503288
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2cc(F)c(F)cc2F)c1C
InChIInChI=1S/C13H12F3N3/c1-6-12(18-7(2)19-13(6)17-3)8-4-10(15)11(16)5-9(8)14/h4-5H,1-3H3,(H,17,18,19)
InChIKeyHQVUBCVZWFVDPO-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 113324439
4-N-(5-bromo-2,4-difluorophenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 102855537
6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 79712175
6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 103524053
N,2,5-trimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114197828
6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80880527
6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975357
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80975820
6-(3-methoxypyrazin-2-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 104516628
N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734511
4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80778681
6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine
CID 80876952

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine (CID 115503288) is N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine is CNc1nc(C)nc(-c2cc(F)c(F)cc2F)c1C.
What is the InChIKey of N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is HQVUBCVZWFVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-6-12(18-7(2)19-13(6)17-3)8-4-10(15)11(16)5-9(8)14/h4-5H,1-3H3,(H,17,18,19).
What are the key properties of N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine?
N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 267.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 115503288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).