N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine

C18H18N4S — CID 3851518

IUPACN-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCSCc1cc(N(C)c2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H18N4S/c1-22(15-8-4-3-5-9-15)17-12-14(13-23-2)20-18(21-17)16-10-6-7-11-19-16/h3-12H,13H2,1-2H3
InChIKeyHMDIJVAOPRALJU-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.17
Rot. Bonds5

About N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine

N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 3851518) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID3851518
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC NameN-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCSCc1cc(N(C)c2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H18N4S/c1-22(15-8-4-3-5-9-15)17-12-14(13-23-2)20-18(21-17)16-10-6-7-11-19-16/h3-12H,13H2,1-2H3
InChIKeyHMDIJVAOPRALJU-UHFFFAOYSA-N
XLogP4.17
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine (CID 3851518) is N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine is CSCc1cc(N(C)c2ccccc2)nc(-c2ccccn2)n1.
What is the InChIKey of N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is HMDIJVAOPRALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S/c1-22(15-8-4-3-5-9-15)17-12-14(13-23-2)20-18(21-17)16-10-6-7-11-19-16/h3-12H,13H2,1-2H3.
What are the key properties of N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 322.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 3851518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).