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

C10H16Cl2N4S — CID 71643190

IUPAC6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCSc1nc(Cl)cc(NCC2CCCN2)n1.Cl
InChIInChI=1S/C10H15ClN4S.ClH/c1-16-10-14-8(11)5-9(15-10)13-6-7-3-2-4-12-7;/h5,7,12H,2-4,6H2,1H3,(H,13,14,15);1H
InChIKeyMROXIPGYRCKSML-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.44
Rot. Bonds4

About 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride

6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 71643190) has the molecular formula C10H16Cl2N4S and a molecular weight of 295.24 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
PubChem CID71643190
Molecular FormulaC10H16Cl2N4S
Molecular Weight295.24 g/mol
Exact Mass294.05
IUPAC Name6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCSc1nc(Cl)cc(NCC2CCCN2)n1.Cl
InChIInChI=1S/C10H15ClN4S.ClH/c1-16-10-14-8(11)5-9(15-10)13-6-7-3-2-4-12-7;/h5,7,12H,2-4,6H2,1H3,(H,13,14,15);1H
InChIKeyMROXIPGYRCKSML-UHFFFAOYSA-N
XLogP2.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride (CID 71643190) is 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride is CSc1nc(Cl)cc(NCC2CCCN2)n1.Cl.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is MROXIPGYRCKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S.ClH/c1-16-10-14-8(11)5-9(15-10)13-6-7-3-2-4-12-7;/h5,7,12H,2-4,6H2,1H3,(H,13,14,15);1H.
What are the key properties of 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 295.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 71643190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).