2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine

C14H16FN3 — CID 116900144

IUPAC2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3/c1-14(2,16-3)13-17-9-8-12(18-13)10-4-6-11(15)7-5-10/h4-9,16H,1-3H3
InChIKeyHXWRMBBZVQCYHY-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.74
Rot. Bonds3

About 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine

2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine (PubChem CID 116900144) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
PubChem CID116900144
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3/c1-14(2,16-3)13-17-9-8-12(18-13)10-4-6-11(15)7-5-10/h4-9,16H,1-3H3
InChIKeyHXWRMBBZVQCYHY-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900147
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900149
4-(4-fluorophenyl)pyrimidine-2-thiolate
CID 1474641
3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116898394
2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine
CID 116897638
4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903673
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
CID 116903672
4-phenyl-2-(trifluoromethyl)pyrimidine
CID 56956173
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidine
CID 68627815
1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one
CID 116901555
2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 62190613

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine (CID 116900144) is 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine is CNC(C)(C)c1nccc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
The InChIKey is HXWRMBBZVQCYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-14(2,16-3)13-17-9-8-12(18-13)10-4-6-11(15)7-5-10/h4-9,16H,1-3H3.
What are the key properties of 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine has a molecular weight of 245.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116900144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).