N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

C14H13FN6 — CID 155942152

IUPACN-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESFc1ccc(CCNc2cc(-n3cncn3)ncn2)cc1
InChIInChI=1S/C14H13FN6/c15-12-3-1-11(2-4-12)5-6-17-13-7-14(19-9-18-13)21-10-16-8-20-21/h1-4,7-10H,5-6H2,(H,17,18,19)
InChIKeyRSHQFFZIUATNGH-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 155942152) has the molecular formula C14H13FN6 and a molecular weight of 284.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
PubChem CID155942152
Molecular FormulaC14H13FN6
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESFc1ccc(CCNc2cc(-n3cncn3)ncn2)cc1
InChIInChI=1S/C14H13FN6/c15-12-3-1-11(2-4-12)5-6-17-13-7-14(19-9-18-13)21-10-16-8-20-21/h1-4,7-10H,5-6H2,(H,17,18,19)
InChIKeyRSHQFFZIUATNGH-UHFFFAOYSA-N
XLogP1.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858398
4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135484
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861434
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860060
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 155975164
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
N-cyclopropyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155941701
1-(4-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122308318
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859723
N-[(4-fluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600328

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 155942152) is N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is Fc1ccc(CCNc2cc(-n3cncn3)ncn2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The InChIKey is RSHQFFZIUATNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6/c15-12-3-1-11(2-4-12)5-6-17-13-7-14(19-9-18-13)21-10-16-8-20-21/h1-4,7-10H,5-6H2,(H,17,18,19).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 284.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 155942152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).