[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol

C12H19N3S — CID 116894539

IUPAC[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol
SMILESCc1cc(C2CCCN(C)C2)nc(CS)n1
InChIInChI=1S/C12H19N3S/c1-9-6-11(14-12(8-16)13-9)10-4-3-5-15(2)7-10/h6,10,16H,3-5,7-8H2,1-2H3
InChIKeyLZPZZRAHZKZHDM-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.02
Rot. Bonds2

About [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol

[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol (PubChem CID 116894539) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol.

Molecular Properties

Compound Name[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol
PubChem CID116894539
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol
SMILESCc1cc(C2CCCN(C)C2)nc(CS)n1
InChIInChI=1S/C12H19N3S/c1-9-6-11(14-12(8-16)13-9)10-4-3-5-15(2)7-10/h6,10,16H,3-5,7-8H2,1-2H3
InChIKeyLZPZZRAHZKZHDM-UHFFFAOYSA-N
XLogP2.02
TPSA29.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine
CID 172524149
N-[[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893231
2-[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116892733
N,N,2-trimethyl-6-[(3R)-1-methylpiperidin-3-yl]pyridin-4-amine
CID 125000369
4-methyl-6-(1-methylpiperidin-3-yl)-2-pyrrolidin-3-ylpyrimidine
CID 116893403
N,4-dimethyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 116894677
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
CID 117105593
1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone
CID 116895403
4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893070
2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 124942782

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol?
The IUPAC name of [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol (CID 116894539) is [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol.
What is the SMILES notation for [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol?
The canonical SMILES for [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol is Cc1cc(C2CCCN(C)C2)nc(CS)n1.
What is the InChIKey of [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol?
The InChIKey is LZPZZRAHZKZHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-6-11(14-12(8-16)13-9)10-4-3-5-15(2)7-10/h6,10,16H,3-5,7-8H2,1-2H3.
What are the key properties of [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol?
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol has a molecular weight of 237.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol is sourced from PubChem (CID 116894539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).