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

C9H14ClN3O — CID 71639242

IUPAC4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride
SMILESCc1ccnc(OC2CCNC2)n1.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-7-2-5-11-9(12-7)13-8-3-4-10-6-8;/h2,5,8,10H,3-4,6H2,1H3;1H
InChIKeyQOPIIGVRAUWNOH-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.95
Rot. Bonds2

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

4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride (PubChem CID 71639242) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride
PubChem CID71639242
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride
SMILESCc1ccnc(OC2CCNC2)n1.Cl
InChIInChI=1S/C9H13N3O.ClH/c1-7-2-5-11-9(12-7)13-8-3-4-10-6-8;/h2,5,8,10H,3-4,6H2,1H3;1H
InChIKeyQOPIIGVRAUWNOH-UHFFFAOYSA-N
XLogP0.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-pyrrolidin-3-yloxypyrimidin-4-amine
CID 129317548
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine;hydrochloride
CID 71638490
4-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71638571
5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine
CID 95031425
2-methyl-6-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406823
4,6-dimethyl-2-piperidin-3-yloxypyrimidine;hydrochloride
CID 71638406
2-methyl-5-pyrrolidin-3-yloxypyridine;dihydrochloride
CID 86775669
2-methyl-3-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 71639334
8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane
CID 126954192
2-pyrrolidin-3-yloxyquinazoline
CID 114789720
1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
CID 14497379
N-methyl-4-pyrrolidin-3-yloxypyrimidin-2-amine
CID 175996386

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride?
The IUPAC name of 4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride (CID 71639242) is 4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride?
The canonical SMILES for 4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride is Cc1ccnc(OC2CCNC2)n1.Cl.
What is the InChIKey of 4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride?
The InChIKey is QOPIIGVRAUWNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c1-7-2-5-11-9(12-7)13-8-3-4-10-6-8;/h2,5,8,10H,3-4,6H2,1H3;1H.
What are the key properties of 4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride?
4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrolidin-3-yloxypyrimidine;hydrochloride is sourced from PubChem (CID 71639242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).