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

C15H19N3S — CID 66096359

IUPAC5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCc1c(C)nc(CSc2ccccc2C)nc1N
InChIInChI=1S/C15H19N3S/c1-4-12-11(3)17-14(18-15(12)16)9-19-13-8-6-5-7-10(13)2/h5-8H,4,9H2,1-3H3,(H2,16,17,18)
InChIKeyVERZSVFASPUFOU-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.53
Rot. Bonds4

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

5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66096359) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66096359
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCc1c(C)nc(CSc2ccccc2C)nc1N
InChIInChI=1S/C15H19N3S/c1-4-12-11(3)17-14(18-15(12)16)9-19-13-8-6-5-7-10(13)2/h5-8H,4,9H2,1-3H3,(H2,16,17,18)
InChIKeyVERZSVFASPUFOU-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66096359) is 5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is CCc1c(C)nc(CSc2ccccc2C)nc1N.
What is the InChIKey of 5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is VERZSVFASPUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-12-11(3)17-14(18-15(12)16)9-19-13-8-6-5-7-10(13)2/h5-8H,4,9H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]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 5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66096359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).