2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine

C15H19N3S — CID 80995752

IUPAC2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(SCc2cccc(C)c2)n1
InChIInChI=1S/C15H19N3S/c1-4-13-17-14(16)11(3)15(18-13)19-9-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H2,16,17,18)
InChIKeyDIAWMMAQGRZKHK-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.53
Rot. Bonds4

About 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine

2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 80995752) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
PubChem CID80995752
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(SCc2cccc(C)c2)n1
InChIInChI=1S/C15H19N3S/c1-4-13-17-14(16)11(3)15(18-13)19-9-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H2,16,17,18)
InChIKeyDIAWMMAQGRZKHK-UHFFFAOYSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3,5-dimethylphenyl)methylsulfanyl]-2-ethyl-5-methylpyrimidin-4-amine
CID 80995681
2-ethyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid
CID 16778338
6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 81138237
N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80889060
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
2-chloro-4-[(3-methylphenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044347
2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80988500
5-ethyl-4,6-dimethyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
CID 691792
2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine
CID 80939326
2,4-diamino-5-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135434152
6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80989878

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine (CID 80995752) is 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine is CCc1nc(N)c(C)c(SCc2cccc(C)c2)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is DIAWMMAQGRZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-13-17-14(16)11(3)15(18-13)19-9-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80995752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).