6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine

C12H12FN3 — CID 115416444

IUPAC6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
SMILESFc1cc(NCCc2ccccc2)ncn1
InChIInChI=1S/C12H12FN3/c13-11-8-12(16-9-15-11)14-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,15,16)
InChIKeyCQLDVBMTNVAWEU-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.27
Rot. Bonds4

About 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine

6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 115416444) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID115416444
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
SMILESFc1cc(NCCc2ccccc2)ncn1
InChIInChI=1S/C12H12FN3/c13-11-8-12(16-9-15-11)14-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,15,16)
InChIKeyCQLDVBMTNVAWEU-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 113305702
6-fluoro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193063
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861063
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82453669
4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861082
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197098
N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861123
N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109347893
4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine (CID 115416444) is 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine is Fc1cc(NCCc2ccccc2)ncn1.
What is the InChIKey of 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is CQLDVBMTNVAWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-11-8-12(16-9-15-11)14-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,15,16).
What are the key properties of 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine?
6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 217.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 115416444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).