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

C14H16ClN3S — CID 103291463

IUPAC4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(SCc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3S/c1-3-16-14-17-10(2)8-13(18-14)19-9-11-6-4-5-7-12(11)15/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyVWVFTSGRPGBQOQ-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.16
Rot. Bonds5

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

4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 103291463) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID103291463
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(SCc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3S/c1-3-16-14-17-10(2)8-13(18-14)19-9-11-6-4-5-7-12(11)15/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyVWVFTSGRPGBQOQ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
CID 80884832
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine
CID 103291573
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 103291519
2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 71945279
[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine
CID 103291602
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
2-tert-butyl-6-[(2-chlorophenyl)methylsulfanyl]-N-methylpyrimidin-4-amine
CID 103291531
3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 102925843
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
6-[(2-chlorophenyl)methylsulfanyl]-4-N-methylpyrimidine-2,4-diamine
CID 103291468

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine (CID 103291463) is 4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(SCc2ccccc2Cl)n1.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is VWVFTSGRPGBQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-3-16-14-17-10(2)8-13(18-14)19-9-11-6-4-5-7-12(11)15/h4-8H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine?
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 293.82 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 103291463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).