[2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine

C10H16N4S — CID 107542244

IUPAC[2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine
SMILESCC1CN(c2nccc(CN)n2)CCS1
InChIInChI=1S/C10H16N4S/c1-8-7-14(4-5-15-8)10-12-3-2-9(6-11)13-10/h2-3,8H,4-7,11H2,1H3
InChIKeyCTOGALHJGQZIMM-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.88
Rot. Bonds2

About [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine

[2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine (PubChem CID 107542244) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine
PubChem CID107542244
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name[2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine
SMILESCC1CN(c2nccc(CN)n2)CCS1
InChIInChI=1S/C10H16N4S/c1-8-7-14(4-5-15-8)10-12-3-2-9(6-11)13-10/h2-3,8H,4-7,11H2,1H3
InChIKeyCTOGALHJGQZIMM-UHFFFAOYSA-N
XLogP0.88
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107541477
[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542226
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine
CID 107542111
2-(2-ethylthiomorpholin-4-yl)pyrimidine-4-carbothioamide
CID 107548124
[2-(2,4-dimethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542257
[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542053
4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine
CID 107373569
4-[4-(aminomethyl)pyrimidin-2-yl]-1-methylpiperazin-2-one
CID 107542075
tert-butyl (2S,6R)-4-[4-(aminomethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168933658
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
[2-bromo-4-(2-methylthiomorpholin-4-yl)phenyl]methanamine
CID 107275045

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine (CID 107542244) is [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine is CC1CN(c2nccc(CN)n2)CCS1.
What is the InChIKey of [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine?
The InChIKey is CTOGALHJGQZIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-8-7-14(4-5-15-8)10-12-3-2-9(6-11)13-10/h2-3,8H,4-7,11H2,1H3.
What are the key properties of [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine?
[2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine has a molecular weight of 224.33 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).