2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione

C13H14FN3S — CID 82457241

IUPAC2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCc2ccccc2F)[nH]1
InChIInChI=1S/C13H14FN3S/c1-2-11-16-12(7-13(18)17-11)15-8-9-5-3-4-6-10(9)14/h3-7H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyYTRTZUUDVJOGOK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.45
Rot. Bonds4

About 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione

2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione (PubChem CID 82457241) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione
PubChem CID82457241
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCc2ccccc2F)[nH]1
InChIInChI=1S/C13H14FN3S/c1-2-11-16-12(7-13(18)17-11)15-8-9-5-3-4-6-10(9)14/h3-7H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyYTRTZUUDVJOGOK-UHFFFAOYSA-N
XLogP3.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione
CID 82457358
6-[(2-fluorophenyl)methylamino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457301
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835
2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 82460814
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528
6-(3,5-difluorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514135
2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 93214219
2-ethyl-N-[(2-fluorophenyl)methyl]-1,3-benzoxazol-5-amine
CID 60930795
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008
N-[(2-fluorophenyl)methyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 154583347
5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 104599790
2-ethyl-8-fluoro-1H-quinazoline-4-thione
CID 106505547

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione (CID 82457241) is 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NCc2ccccc2F)[nH]1.
What is the InChIKey of 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione?
The InChIKey is YTRTZUUDVJOGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-2-11-16-12(7-13(18)17-11)15-8-9-5-3-4-6-10(9)14/h3-7H,2,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione?
2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione has a molecular weight of 263.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).