2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine

C15H20N4S — CID 4118530

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2)nc(SCCN(C)C)n1
InChIInChI=1S/C15H20N4S/c1-12-11-14(17-13-7-5-4-6-8-13)18-15(16-12)20-10-9-19(2)3/h4-8,11H,9-10H2,1-3H3,(H,16,17,18)
InChIKeyVZMXBGPCOKDQDD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.18
Rot. Bonds6

About 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine

2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine (PubChem CID 4118530) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine
PubChem CID4118530
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2)nc(SCCN(C)C)n1
InChIInChI=1S/C15H20N4S/c1-12-11-14(17-13-7-5-4-6-8-13)18-15(16-12)20-10-9-19(2)3/h4-8,11H,9-10H2,1-3H3,(H,16,17,18)
InChIKeyVZMXBGPCOKDQDD-UHFFFAOYSA-N
XLogP3.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-anilino-6-methylpyrimidin-2-yl)sulfanylbutan-2-one
CID 5215057
2-(4-anilino-6-methylpyrimidin-2-yl)sulfanylacetic acid
CID 82017684
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
CID 747180
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915976
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112913671
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754196
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
2-cyclopropyl-6-methyl-N-phenylpyrimidin-4-amine
CID 163350504
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 14935475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine (CID 4118530) is 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine is Cc1cc(Nc2ccccc2)nc(SCCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is VZMXBGPCOKDQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-12-11-14(17-13-7-5-4-6-8-13)18-15(16-12)20-10-9-19(2)3/h4-8,11H,9-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine?
2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 288.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 4118530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).