1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine

C16H21N3S — CID 66096153

IUPAC1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(CSc2ccccc2C)nc1C
InChIInChI=1S/C16H21N3S/c1-11-7-5-6-8-15(11)20-10-16-18-12(2)14(9-17-4)13(3)19-16/h5-8,17H,9-10H2,1-4H3
InChIKeyACUGNOFNDHGIRV-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.41
Rot. Bonds5

About 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine

1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 66096153) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine
PubChem CID66096153
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(CSc2ccccc2C)nc1C
InChIInChI=1S/C16H21N3S/c1-11-7-5-6-8-15(11)20-10-16-18-12(2)14(9-17-4)13(3)19-16/h5-8,17H,9-10H2,1-4H3
InChIKeyACUGNOFNDHGIRV-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66096359
N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66097398
1-[2-[(3-fluorophenyl)sulfanylmethyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 66071908
4,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]-5-propan-2-ylpyrimidine
CID 66094848
4-methyl-6-[(2-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66096995
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66098036
1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 65141299
[6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66097189
1-[4-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanone
CID 66099087
4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 66097202
4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine
CID 66094645
5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66302205

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine (CID 66096153) is 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine is CNCc1c(C)nc(CSc2ccccc2C)nc1C.
What is the InChIKey of 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is ACUGNOFNDHGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11-7-5-6-8-15(11)20-10-16-18-12(2)14(9-17-4)13(3)19-16/h5-8,17H,9-10H2,1-4H3.
What are the key properties of 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine?
1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 66096153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).