6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine

C14H16FN3S — CID 80949638

IUPAC6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3S/c1-3-4-12-17-13(16-2)9-14(18-12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyZUFCOFAPFQZLJN-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds5

About 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine

6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80949638) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80949638
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3S/c1-3-4-12-17-13(16-2)9-14(18-12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyZUFCOFAPFQZLJN-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
CID 80942803
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
4-methyl-3-[6-(methylamino)-2-propylpyrimidin-4-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 80946770
2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80939312
N-methyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949864
2-ethyl-N-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80939328
N-methyl-2-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80947049
6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80946945
N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107765749
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80946552
3-[6-(methylamino)-2-propylpyrimidin-4-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 80943637

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine (CID 80949638) is 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(Sc2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is ZUFCOFAPFQZLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-3-4-12-17-13(16-2)9-14(18-12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine?
6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).