N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

C17H23N3S — CID 65041054

IUPACN-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C17H23N3S/c1-11-12(2)19-17(20-13(11)3)21-14(4)16(18-5)15-9-7-6-8-10-15/h6-10,14,16,18H,1-5H3
InChIKeyKOUVNNJUHQKXML-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.84
Rot. Bonds5

About N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (PubChem CID 65041054) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
PubChem CID65041054
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C17H23N3S/c1-11-12(2)19-17(20-13(11)3)21-14(4)16(18-5)15-9-7-6-8-10-15/h6-10,14,16,18H,1-5H3
InChIKeyKOUVNNJUHQKXML-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
CID 64633701
N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 64619331
N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 64614845
1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
CID 64620958
1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 65041016
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64628599
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 106927981
N-methyl-N-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 3450207
N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
CID 64648445
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine
CID 64648663
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
CID 64634885

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The IUPAC name of N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (CID 65041054) is N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is CNC(c1ccccc1)C(C)Sc1nc(C)c(C)c(C)n1.
What is the InChIKey of N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The InChIKey is KOUVNNJUHQKXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-11-12(2)19-17(20-13(11)3)21-14(4)16(18-5)15-9-7-6-8-10-15/h6-10,14,16,18H,1-5H3.
What are the key properties of N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 65041054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).