6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine

C14H16ClN3S — CID 103291539

IUPAC6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1SCc1ccccc1Cl
InChIInChI=1S/C14H16ClN3S/c1-3-11-13(16-2)17-9-18-14(11)19-8-10-6-4-5-7-12(10)15/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyXSOPFYLJSRGJRF-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.03
Rot. Bonds5

About 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine

6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 103291539) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID103291539
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1SCc1ccccc1Cl
InChIInChI=1S/C14H16ClN3S/c1-3-11-13(16-2)17-9-18-14(11)19-8-10-6-4-5-7-12(10)15/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyXSOPFYLJSRGJRF-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
[4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-5-yl]methanol
CID 103290812
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80889914
6-[(2-chlorophenyl)methylsulfanyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 103291510
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80894668
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80890612
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80778733

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine (CID 103291539) is 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1SCc1ccccc1Cl.
What is the InChIKey of 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is XSOPFYLJSRGJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-3-11-13(16-2)17-9-18-14(11)19-8-10-6-4-5-7-12(10)15/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 293.82 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 103291539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).