6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride

C10H16Cl2N4S — CID 71643140

IUPAC6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride
SMILESCSc1nc(Cl)cc(N(C)C2CCNC2)n1.Cl
InChIInChI=1S/C10H15ClN4S.ClH/c1-15(7-3-4-12-6-7)9-5-8(11)13-10(14-9)16-2;/h5,7,12H,3-4,6H2,1-2H3;1H
InChIKeyACAOLEWEGTWQAG-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.07
Rot. Bonds3

About 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride

6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride (PubChem CID 71643140) has the molecular formula C10H16Cl2N4S and a molecular weight of 295.24 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride
PubChem CID71643140
Molecular FormulaC10H16Cl2N4S
Molecular Weight295.24 g/mol
Exact Mass294.05
IUPAC Name6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride
SMILESCSc1nc(Cl)cc(N(C)C2CCNC2)n1.Cl
InChIInChI=1S/C10H15ClN4S.ClH/c1-15(7-3-4-12-6-7)9-5-8(11)13-10(14-9)16-2;/h5,7,12H,3-4,6H2,1-2H3;1H
InChIKeyACAOLEWEGTWQAG-UHFFFAOYSA-N
XLogP2.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82749005
2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71641175
4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 71640963
6-chloro-2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643194
4-chloro-2-methylsulfanyl-6-piperidin-4-yloxypyrimidine;hydrochloride
CID 71643210
6-chloro-2-methylsulfanyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 97164952
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride
CID 71640856
tert-butyl (3S)-3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]piperidine-1-carboxylate
CID 71648561
4-chloro-2-methylsulfanyl-6-(piperidin-3-ylmethoxy)pyrimidine;hydrochloride
CID 71643214
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride (CID 71643140) is 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride is CSc1nc(Cl)cc(N(C)C2CCNC2)n1.Cl.
What is the InChIKey of 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride?
The InChIKey is ACAOLEWEGTWQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S.ClH/c1-15(7-3-4-12-6-7)9-5-8(11)13-10(14-9)16-2;/h5,7,12H,3-4,6H2,1-2H3;1H.
What are the key properties of 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride?
6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride has a molecular weight of 295.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 71643140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).