1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine

C15H19N3S — CID 63807375

IUPAC1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2nc(C)cc(C)n2)cc1C
InChIInChI=1S/C15H19N3S/c1-10-7-14(6-5-13(10)9-16-4)19-15-17-11(2)8-12(3)18-15/h5-8,16H,9H2,1-4H3
InChIKeyUXZWHTYWNQJRPK-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine

1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine (PubChem CID 63807375) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine
PubChem CID63807375
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2nc(C)cc(C)n2)cc1C
InChIInChI=1S/C15H19N3S/c1-10-7-14(6-5-13(10)9-16-4)19-15-17-11(2)8-12(3)18-15/h5-8,16H,9H2,1-4H3
InChIKeyUXZWHTYWNQJRPK-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 63809493
2-[3-methyl-4-(propylaminomethyl)phenyl]sulfanylpyrimidine-4,6-diamine
CID 63814936
1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 114864516
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbenzonitrile
CID 81282620
[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552271
[2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 65041393
1-(4-butylsulfanyl-2-methylphenyl)-N-methylmethanamine
CID 63808194
3-methyl-4-(methylaminomethyl)aniline
CID 45078678
N-[[2-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 63814939
3-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline
CID 2735403
N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 63806520
2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine
CID 63814344

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine (CID 63807375) is 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine is CNCc1ccc(Sc2nc(C)cc(C)n2)cc1C.
What is the InChIKey of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine?
The InChIKey is UXZWHTYWNQJRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-7-14(6-5-13(10)9-16-4)19-15-17-11(2)8-12(3)18-15/h5-8,16H,9H2,1-4H3.
What are the key properties of 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine?
1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63807375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).