N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine

C15H17N3S — CID 55240024

IUPACN-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1Sc1ccncn1
InChIInChI=1S/C15H17N3S/c1-11-8-12(9-17-13-3-4-13)2-5-14(11)19-15-6-7-16-10-18-15/h2,5-8,10,13,17H,3-4,9H2,1H3
InChIKeyFZIAUOCHMOBBFA-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.19
Rot. Bonds5

About N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine

N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine (PubChem CID 55240024) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
PubChem CID55240024
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1Sc1ccncn1
InChIInChI=1S/C15H17N3S/c1-11-8-12(9-17-13-3-4-13)2-5-14(11)19-15-6-7-16-10-18-15/h2,5-8,10,13,17H,3-4,9H2,1H3
InChIKeyFZIAUOCHMOBBFA-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[4-[(Z)-2-cyanoethenyl]-2,6-dimethylphenyl]sulfanylpyrimidin-2-yl]amino]benzonitrile
CID 44427912
4-[[4-(2,4,6-Trimethylphenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile
CID 488781
2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
CID 96753
2-methylsulfanyl-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
CID 10977729
(4-Methyl-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
CID 6498216
(4-Methylsulfanyl-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
CID 17123329
(2-Methyl-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
CID 23724381
2-Chloro-4-[(4-methylphenyl)sulfanyl]pyrimidine
CID 18327475
4-Benzylsulfanylpyrimidin-2-amine
CID 238734
4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenyl]sulfanylpyrimidin-2-yl]amino]benzonitrile
CID 16723682
4-[2-(4-Cyanoanilino)pyrimidin-4-yl]sulfanyl-3,5-dimethylbenzonitrile
CID 44582651
4-N-[(5-phenylthiophen-2-yl)methyl]-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 162671677

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine (CID 55240024) is N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1Sc1ccncn1.
What is the InChIKey of N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The InChIKey is FZIAUOCHMOBBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-8-12(9-17-13-3-4-13)2-5-14(11)19-15-6-7-16-10-18-15/h2,5-8,10,13,17H,3-4,9H2,1H3.
What are the key properties of N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine has a molecular weight of 271.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 55240024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).