6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine

C14H16ClN3S — CID 80939171

IUPAC6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2ccc(SC)cc2)n1
InChIInChI=1S/C14H16ClN3S/c1-3-4-13-17-12(15)9-14(18-13)16-10-5-7-11(19-2)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyUXZWOEZROOBKTA-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.55
Rot. Bonds5

About 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine

6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine (PubChem CID 80939171) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
PubChem CID80939171
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2ccc(SC)cc2)n1
InChIInChI=1S/C14H16ClN3S/c1-3-4-13-17-12(15)9-14(18-13)16-10-5-7-11(19-2)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyUXZWOEZROOBKTA-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 80939572
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107602346
2-(6-chloro-2-propylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83020436
4-chloro-6-(3,4-dichlorophenyl)sulfanyl-2-propylpyrimidine
CID 80945057
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80759731

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine (CID 80939171) is 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(Nc2ccc(SC)cc2)n1.
What is the InChIKey of 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine?
The InChIKey is UXZWOEZROOBKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-3-4-13-17-12(15)9-14(18-13)16-10-5-7-11(19-2)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine?
6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine has a molecular weight of 293.82 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).