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

C10H17ClN4S — CID 71643330

IUPAC2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCSc1nccc(NCC2CCCN2)n1.Cl
InChIInChI=1S/C10H16N4S.ClH/c1-15-10-12-6-4-9(14-10)13-7-8-3-2-5-11-8;/h4,6,8,11H,2-3,5,7H2,1H3,(H,12,13,14);1H
InChIKeyQCQNXIGNSCILGA-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.78
Rot. Bonds4

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

2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 71643330) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
PubChem CID71643330
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC Name2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCSc1nccc(NCC2CCCN2)n1.Cl
InChIInChI=1S/C10H16N4S.ClH/c1-15-10-12-6-4-9(14-10)13-7-8-3-2-5-11-8;/h4,6,8,11H,2-3,5,7H2,1H3,(H,12,13,14);1H
InChIKeyQCQNXIGNSCILGA-UHFFFAOYSA-N
XLogP1.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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]methyl]pyrimidin-4-amine
CID 97165005
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643190
2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride
CID 71643312
2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 71643313
N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 67325580
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542199
4-tert-butyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 126546174
2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 104972916
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride (CID 71643330) is 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride is CSc1nccc(NCC2CCCN2)n1.Cl.
What is the InChIKey of 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is QCQNXIGNSCILGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S.ClH/c1-15-10-12-6-4-9(14-10)13-7-8-3-2-5-11-8;/h4,6,8,11H,2-3,5,7H2,1H3,(H,12,13,14);1H.
What are the key properties of 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 71643330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).