5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine

C11H14FN5S — CID 80887075

IUPAC5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nccn2C)n1
InChIInChI=1S/C11H14FN5S/c1-3-4-13-10-15-7-8(12)9(16-10)18-11-14-5-6-17(11)2/h5-7H,3-4H2,1-2H3,(H,13,15,16)
InChIKeySIQOTSJNCZBQPO-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.32
Rot. Bonds5

About 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine

5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine (PubChem CID 80887075) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine
PubChem CID80887075
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nccn2C)n1
InChIInChI=1S/C11H14FN5S/c1-3-4-13-10-15-7-8(12)9(16-10)18-11-14-5-6-17(11)2/h5-7H,3-4H2,1-2H3,(H,13,15,16)
InChIKeySIQOTSJNCZBQPO-UHFFFAOYSA-N
XLogP2.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~4~-methyl-N~2~-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}pyrimidine-2,4-diamine
CID 50950039
N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72887542
5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
CID 75483060
5-Fluoro-4-methylsulfanyl-2-piperazin-1-ylpyrimidine
CID 11775950
2-Chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine
CID 79075592
5-fluoro-4-N-(3-imidazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 80753523
5-fluoro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753849
2-N-ethyl-5-fluoro-4-N-(3-imidazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 80753851
5-fluoro-4-N-(3-imidazol-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80753931
5-fluoro-4-N-(4-imidazol-1-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80794353
5-fluoro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80800638
5-fluoro-4-N-(1-imidazol-1-ylpropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80802288

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine (CID 80887075) is 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2nccn2C)n1.
What is the InChIKey of 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine?
The InChIKey is SIQOTSJNCZBQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-3-4-13-10-15-7-8(12)9(16-10)18-11-14-5-6-17(11)2/h5-7H,3-4H2,1-2H3,(H,13,15,16).
What are the key properties of 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine?
5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80887075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).