6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine

C13H14ClN3S — CID 71671580

IUPAC6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCc2ccccc2)n1
InChIInChI=1S/C13H14ClN3S/c1-18-13-16-11(14)9-12(17-13)15-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16,17)
InChIKeyWPXCUERKOLZJQE-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.51
Rot. Bonds5

About 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine

6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 71671580) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID71671580
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCc2ccccc2)n1
InChIInChI=1S/C13H14ClN3S/c1-18-13-16-11(14)9-12(17-13)15-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16,17)
InChIKeyWPXCUERKOLZJQE-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
6-N-ethyl-2-methylsulfanyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80775330
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 114139531
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528
6-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106196856
6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106195075
6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80547131
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
4-N-[2-(4-fluorophenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80785928
N-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80545291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine (CID 71671580) is 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine is CSc1nc(Cl)cc(NCCc2ccccc2)n1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is WPXCUERKOLZJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-18-13-16-11(14)9-12(17-13)15-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine?
6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 279.80 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 71671580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).