2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine

C10H17N3S — CID 63982340

IUPAC2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
SMILESCSCC(C)CNCc1cncnc1
InChIInChI=1S/C10H17N3S/c1-9(7-14-2)3-11-4-10-5-12-8-13-6-10/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyNHYQWGIHZKHEJC-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.57
Rot. Bonds6

About 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine

2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine (PubChem CID 63982340) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
PubChem CID63982340
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
SMILESCSCC(C)CNCc1cncnc1
InChIInChI=1S/C10H17N3S/c1-9(7-14-2)3-11-4-10-5-12-8-13-6-10/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyNHYQWGIHZKHEJC-UHFFFAOYSA-N
XLogP1.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 78966606
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63965505
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045
2-methylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62997720
N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63982151
3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623508
N-ethyl-2-methyl-3-pyrimidin-5-ylpropan-1-amine
CID 64665606
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79267876
2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 78957770
2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63982586
2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63966499
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine (CID 63982340) is 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine is CSCC(C)CNCc1cncnc1.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The InChIKey is NHYQWGIHZKHEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-9(7-14-2)3-11-4-10-5-12-8-13-6-10/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine?
2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 63982340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).