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

2-(Piperidin-4-yloxy)-4-(trifluoromethyl)pyrimidine
CID 23133612
N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
2-Pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine
CID 64585868
4-Methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432365
N-Butyl-4-methylpyrimidin-2-amine
CID 62958720
2-Ethoxy-4-methylpyrimidine
CID 20616759
N-isopropyl-2-((4-methylpyrimidin-2-yl)oxy)acetamide
CID 52907246
N-[3-(Cyclohexyloxy)propyl]-4-methylpyrimidin-2-amine
CID 72937406
4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine
CID 86802449
2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 164630287
4-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]butan-2-ol
CID 57508123
2-(1-Ethoxyvinyl)-4-(fluoromethyl)pyrimidine
CID 121394324

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).