N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine

C16H19N3S — CID 63807198

IUPACN-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCc1cc(C)nc(Sc2ccccc2CNC2CC2)n1
InChIInChI=1S/C16H19N3S/c1-11-9-12(2)19-16(18-11)20-15-6-4-3-5-13(15)10-17-14-7-8-14/h3-6,9,14,17H,7-8,10H2,1-2H3
InChIKeyBQMPAKHTAPETED-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.50
Rot. Bonds5

About N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine

N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine (PubChem CID 63807198) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
PubChem CID63807198
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCc1cc(C)nc(Sc2ccccc2CNC2CC2)n1
InChIInChI=1S/C16H19N3S/c1-11-9-12(2)19-16(18-11)20-15-6-4-3-5-13(15)10-17-14-7-8-14/h3-6,9,14,17H,7-8,10H2,1-2H3
InChIKeyBQMPAKHTAPETED-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160780
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63809843
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806637
1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 55238730
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805325
N-[[2-chloro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807191
N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807475
3-[2-[(cyclopropylamino)methyl]phenyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 63808090
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240971
4-ethyl-N-[(2-methylquinolin-4-yl)methyl]cyclohexan-1-amine
CID 78943048
N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55072882
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine (CID 63807198) is N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine is Cc1cc(C)nc(Sc2ccccc2CNC2CC2)n1.
What is the InChIKey of N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine?
The InChIKey is BQMPAKHTAPETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11-9-12(2)19-16(18-11)20-15-6-4-3-5-13(15)10-17-14-7-8-14/h3-6,9,14,17H,7-8,10H2,1-2H3.
What are the key properties of N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine?
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine has a molecular weight of 285.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63807198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).