6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine

C15H17N3S — CID 623158

IUPAC6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(C)nc(SC)nc1Nc1ccccc1
InChIInChI=1S/C15H17N3S/c1-4-8-13-11(2)16-15(19-3)18-14(13)17-12-9-6-5-7-10-12/h4-7,9-10H,1,8H2,2-3H3,(H,16,17,18)
InChIKeyZIDHKBXHAVJWKD-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.98
Rot. Bonds5

About 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine

6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine (PubChem CID 623158) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine
PubChem CID623158
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(C)nc(SC)nc1Nc1ccccc1
InChIInChI=1S/C15H17N3S/c1-4-8-13-11(2)16-15(19-3)18-14(13)17-12-9-6-5-7-10-12/h4-7,9-10H,1,8H2,2-3H3,(H,16,17,18)
InChIKeyZIDHKBXHAVJWKD-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine (CID 623158) is 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine is C=CCc1c(C)nc(SC)nc1Nc1ccccc1.
What is the InChIKey of 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine?
The InChIKey is ZIDHKBXHAVJWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-4-8-13-11(2)16-15(19-3)18-14(13)17-12-9-6-5-7-10-12/h4-7,9-10H,1,8H2,2-3H3,(H,16,17,18).
What are the key properties of 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine?
6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine has a molecular weight of 271.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-N-phenyl-5-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 623158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).