2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine

C16H21N3S — CID 80654078

IUPAC2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CSCc2ccccc2)n1
InChIInChI=1S/C16H21N3S/c1-3-9-17-15-10-13(2)18-16(19-15)12-20-11-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3,(H,17,18,19)
InChIKeyZJMIKRVTXZALHL-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.04
Rot. Bonds7

About 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine

2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 80654078) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID80654078
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CSCc2ccccc2)n1
InChIInChI=1S/C16H21N3S/c1-3-9-17-15-10-13(2)18-16(19-15)12-20-11-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3,(H,17,18,19)
InChIKeyZJMIKRVTXZALHL-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
2-[(4-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66065324
6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
CID 80888395
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129176
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528
6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 115383635
6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657535
6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65132208

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine (CID 80654078) is 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(CSCc2ccccc2)n1.
What is the InChIKey of 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is ZJMIKRVTXZALHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-9-17-15-10-13(2)18-16(19-15)12-20-11-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80654078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).