2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride

C9H13Cl2N3O — CID 71638580

IUPAC2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride
SMILESCc1cc(OC2CCNC2)nc(Cl)n1.Cl
InChIInChI=1S/C9H12ClN3O.ClH/c1-6-4-8(13-9(10)12-6)14-7-2-3-11-5-7;/h4,7,11H,2-3,5H2,1H3;1H
InChIKeyZUTMZLOUCMESQK-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.60
Rot. Bonds2

About 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride

2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride (PubChem CID 71638580) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride
PubChem CID71638580
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride
SMILESCc1cc(OC2CCNC2)nc(Cl)n1.Cl
InChIInChI=1S/C9H12ClN3O.ClH/c1-6-4-8(13-9(10)12-6)14-7-2-3-11-5-7;/h4,7,11H,2-3,5H2,1H3;1H
InChIKeyZUTMZLOUCMESQK-UHFFFAOYSA-N
XLogP1.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride?
The IUPAC name of 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride (CID 71638580) is 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride.
What is the SMILES notation for 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride?
The canonical SMILES for 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride is Cc1cc(OC2CCNC2)nc(Cl)n1.Cl.
What is the InChIKey of 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride?
The InChIKey is ZUTMZLOUCMESQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O.ClH/c1-6-4-8(13-9(10)12-6)14-7-2-3-11-5-7;/h4,7,11H,2-3,5H2,1H3;1H.
What are the key properties of 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride?
2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride has a molecular weight of 250.13 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride is sourced from PubChem (CID 71638580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).