4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C16H15F4N3O — CID 2991012

IUPAC4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C16H15F4N3O/c17-11-5-3-10(4-6-11)13-8-14(16(18,19)20)23-15(22-13)21-9-12-2-1-7-24-12/h3-6,8,12H,1-2,7,9H2,(H,21,22,23)
InChIKeyYPQBSWGZNYBRED-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.89
Rot. Bonds4

About 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2991012) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2991012
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C16H15F4N3O/c17-11-5-3-10(4-6-11)13-8-14(16(18,19)20)23-15(22-13)21-9-12-2-1-7-24-12/h3-6,8,12H,1-2,7,9H2,(H,21,22,23)
InChIKeyYPQBSWGZNYBRED-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-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

N~2~-(2-fluorophenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine
CID 2929638
4-(3-(2-Methoxyethylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 52942200
4-(4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl)morpholine
CID 891729
N~2~-(4-fluorophenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2927620
2-N-(3-fluorophenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 2952933
(Oxolan-2-ylmethyl)[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amine
CID 2985365
4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine
CID 3151039
N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3234309
4-(difluoromethyl)-6-(4-methylphenyl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-2-amine
CID 3244132
N-[(4-fluorophenyl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 4412077
N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 6621133
N-benzyl-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 4412217

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2991012) is 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is Fc1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCO3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YPQBSWGZNYBRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O/c17-11-5-3-10(4-6-11)13-8-14(16(18,19)20)23-15(22-13)21-9-12-2-1-7-24-12/h3-6,8,12H,1-2,7,9H2,(H,21,22,23).
What are the key properties of 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 341.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2991012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).