2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride

C10H17ClN4S — CID 71643312

IUPAC2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride
SMILESCSc1nccc(N[C@@H]2CCCNC2)n1.Cl
InChIInChI=1S/C10H16N4S.ClH/c1-15-10-12-6-4-9(14-10)13-8-3-2-5-11-7-8;/h4,6,8,11H,2-3,5,7H2,1H3,(H,12,13,14);1H/t8-;/m1./s1
InChIKeyXLGIFZQYEWDHJE-DDWIOCJRSA-N
MW260.79 g/mol
LogP1.78
Rot. Bonds3

About 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride

2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride (PubChem CID 71643312) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride
PubChem CID71643312
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC Name2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride
SMILESCSc1nccc(N[C@@H]2CCCNC2)n1.Cl
InChIInChI=1S/C10H16N4S.ClH/c1-15-10-12-6-4-9(14-10)13-8-3-2-5-11-7-8;/h4,6,8,11H,2-3,5,7H2,1H3,(H,12,13,14);1H/t8-;/m1./s1
InChIKeyXLGIFZQYEWDHJE-DDWIOCJRSA-N
XLogP1.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 71643313
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97165005
5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 58177241
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643330
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine
CID 141103714
4-N-[(3S)-pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 59631600
N-piperidin-3-ylpyridin-2-amine
CID 63321128
6-chloro-N-piperidin-3-ylpyridin-2-amine
CID 71564691
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride (CID 71643312) is 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride is CSc1nccc(N[C@@H]2CCCNC2)n1.Cl.
What is the InChIKey of 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride?
The InChIKey is XLGIFZQYEWDHJE-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H16N4S.ClH/c1-15-10-12-6-4-9(14-10)13-8-3-2-5-11-7-8;/h4,6,8,11H,2-3,5,7H2,1H3,(H,12,13,14);1H/t8-;/m1./s1.
What are the key properties of 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride?
2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 71643312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).