4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine

C18H12F3N5S — CID 17035779

IUPAC4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine
SMILESCc1nc(Nc2nc(-c3cccs3)cc(C(F)(F)F)n2)nc2ccccc12
InChIInChI=1S/C18H12F3N5S/c1-10-11-5-2-3-6-12(11)23-16(22-10)26-17-24-13(14-7-4-8-27-14)9-15(25-17)18(19,20)21/h2-9H,1H3,(H,22,23,24,25,26)
InChIKeyLNPCHKNCUVOUOZ-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.22
Rot. Bonds3

About 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine

4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine (PubChem CID 17035779) has the molecular formula C18H12F3N5S and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine
PubChem CID17035779
Molecular FormulaC18H12F3N5S
Molecular Weight387.39 g/mol
Exact Mass387.08
IUPAC Name4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine
SMILESCc1nc(Nc2nc(-c3cccs3)cc(C(F)(F)F)n2)nc2ccccc12
InChIInChI=1S/C18H12F3N5S/c1-10-11-5-2-3-6-12(11)23-16(22-10)26-17-24-13(14-7-4-8-27-14)9-15(25-17)18(19,20)21/h2-9H,1H3,(H,22,23,24,25,26)
InChIKeyLNPCHKNCUVOUOZ-UHFFFAOYSA-N
XLogP5.22
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6,8-trimethyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine
CID 17035782
[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 71670383
2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 19587653
N-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 6937978
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
4-fluoro-N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
CID 1263771
4-methyl-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]quinoline
CID 70179071
ethyl 2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetate
CID 822162
N-benzyl-N-methyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17095482
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 20585928
2-methyl-4-thiophen-2-ylquinoline
CID 11746306

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine?
The IUPAC name of 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine (CID 17035779) is 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine.
What is the SMILES notation for 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine?
The canonical SMILES for 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine is Cc1nc(Nc2nc(-c3cccs3)cc(C(F)(F)F)n2)nc2ccccc12.
What is the InChIKey of 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine?
The InChIKey is LNPCHKNCUVOUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5S/c1-10-11-5-2-3-6-12(11)23-16(22-10)26-17-24-13(14-7-4-8-27-14)9-15(25-17)18(19,20)21/h2-9H,1H3,(H,22,23,24,25,26).
What are the key properties of 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine?
4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine has a molecular weight of 387.39 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]quinazolin-2-amine is sourced from PubChem (CID 17035779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).