6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine

C16H21N3S — CID 145499093

IUPAC6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc(C)c(SC)c2)c1C
InChIInChI=1S/C16H21N3S/c1-5-14-12(3)16(19-10-18-14)17-9-13-7-6-11(2)15(8-13)20-4/h6-8,10H,5,9H2,1-4H3,(H,17,18,19)
InChIKeyQMVZUXOXYVEYAU-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.99
Rot. Bonds5

About 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine

6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine (PubChem CID 145499093) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine
PubChem CID145499093
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc(C)c(SC)c2)c1C
InChIInChI=1S/C16H21N3S/c1-5-14-12(3)16(19-10-18-14)17-9-13-7-6-11(2)15(8-13)20-4/h6-8,10H,5,9H2,1-4H3,(H,17,18,19)
InChIKeyQMVZUXOXYVEYAU-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine (CID 145499093) is 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine is CCc1ncnc(NCc2ccc(C)c(SC)c2)c1C.
What is the InChIKey of 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is QMVZUXOXYVEYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-5-14-12(3)16(19-10-18-14)17-9-13-7-6-11(2)15(8-13)20-4/h6-8,10H,5,9H2,1-4H3,(H,17,18,19).
What are the key properties of 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine?
6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-N-[(4-methyl-3-methylsulfanylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 145499093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).