N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride

C12H21ClN4S — CID 71643294

IUPACN-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCSc1nccc(N(C)CC2CCNCC2)n1.Cl
InChIInChI=1S/C12H20N4S.ClH/c1-16(9-10-3-6-13-7-4-10)11-5-8-14-12(15-11)17-2;/h5,8,10,13H,3-4,6-7,9H2,1-2H3;1H
InChIKeyOGZLLXMAGXYOIW-UHFFFAOYSA-N
MW288.85 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride

N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 71643294) has the molecular formula C12H21ClN4S and a molecular weight of 288.85 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
PubChem CID71643294
Molecular FormulaC12H21ClN4S
Molecular Weight288.85 g/mol
Exact Mass288.12
IUPAC NameN-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCSc1nccc(N(C)CC2CCNCC2)n1.Cl
InChIInChI=1S/C12H20N4S.ClH/c1-16(9-10-3-6-13-7-4-10)11-5-8-14-12(15-11)17-2;/h5,8,10,13H,3-4,6-7,9H2,1-2H3;1H
InChIKeyOGZLLXMAGXYOIW-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.85
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-4-(piperidin-4-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71643270
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CID 71642440
2-methylsulfanyl-4-(pyrrolidin-3-ylmethoxy)pyrimidine;hydrochloride
CID 71643354
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441
6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 71642379
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719724
N-(cyclopentylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 133304236
4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
CID 69426314
4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716663
N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 175652021
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 71642488
6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642240

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride (CID 71643294) is N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride is CSc1nccc(N(C)CC2CCNCC2)n1.Cl.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is OGZLLXMAGXYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S.ClH/c1-16(9-10-3-6-13-7-4-10)11-5-8-14-12(15-11)17-2;/h5,8,10,13H,3-4,6-7,9H2,1-2H3;1H.
What are the key properties of N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride?
N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 288.85 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 71643294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).