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

C14H16FN3S — CID 82457358

IUPAC6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NCc2ccccc2F)[nH]1
InChIInChI=1S/C14H16FN3S/c1-2-5-12-17-13(8-14(19)18-12)16-9-10-6-3-4-7-11(10)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,17,18,19)
InChIKeyCWCSKYQYTRBLOL-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.84
Rot. Bonds5

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

6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione (PubChem CID 82457358) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione
PubChem CID82457358
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NCc2ccccc2F)[nH]1
InChIInChI=1S/C14H16FN3S/c1-2-5-12-17-13(8-14(19)18-12)16-9-10-6-3-4-7-11(10)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,17,18,19)
InChIKeyCWCSKYQYTRBLOL-UHFFFAOYSA-N
XLogP3.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.84
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

2-ethyl-6-[(2-fluorophenyl)methylamino]-1H-pyrimidine-4-thione
CID 82457241
6-[(2-fluorophenyl)methylamino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457301
6-(propan-2-ylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457323
2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 82460814
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835
5-bromo-2-[(2-fluorophenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479423
6-(3-imidazol-1-ylpropylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457376
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008
2-(methoxymethyl)-6-[(4-methoxyphenyl)methylamino]-1H-pyrimidine-4-thione
CID 82457482
2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475189
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione (CID 82457358) is 6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione is CCCc1nc(=S)cc(NCc2ccccc2F)[nH]1.
What is the InChIKey of 6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione?
The InChIKey is CWCSKYQYTRBLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-2-5-12-17-13(8-14(19)18-12)16-9-10-6-3-4-7-11(10)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione?
6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione has a molecular weight of 277.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylamino]-2-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).