1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride

C11H16ClN3 — CID 18934731

IUPAC1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride
SMILESCl.c1ncc(C2CCN3CCCC23)cn1
InChIInChI=1S/C11H15N3.ClH/c1-2-11-10(3-5-14(11)4-1)9-6-12-8-13-7-9;/h6-8,10-11H,1-5H2;1H
InChIKeyUEEGFJOBFFWAET-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.85
Rot. Bonds1

About 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride

1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride (PubChem CID 18934731) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride.

Molecular Properties

Compound Name1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride
PubChem CID18934731
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride
SMILESCl.c1ncc(C2CCN3CCCC23)cn1
InChIInChI=1S/C11H15N3.ClH/c1-2-11-10(3-5-14(11)4-1)9-6-12-8-13-7-9;/h6-8,10-11H,1-5H2;1H
InChIKeyUEEGFJOBFFWAET-UHFFFAOYSA-N
XLogP1.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 91060176
3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
CID 15750249
7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane
CID 21094254
5-(2-chlorocyclopropyl)pyrimidine
CID 174618230
5-(2-cyclopropylcyclopropyl)pyrimidine
CID 173069737
1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 71301921
(3R)-3-pyrimidin-5-ylpyrrolidine-1-carbonitrile
CID 130383086
5-(5-bromo-2-methylcyclohexyl)pyrimidine
CID 165497477
N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 130606432
(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine
CID 107649128
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride?
The IUPAC name of 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride (CID 18934731) is 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride.
What is the SMILES notation for 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride?
The canonical SMILES for 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride is Cl.c1ncc(C2CCN3CCCC23)cn1.
What is the InChIKey of 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride?
The InChIKey is UEEGFJOBFFWAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.ClH/c1-2-11-10(3-5-14(11)4-1)9-6-12-8-13-7-9;/h6-8,10-11H,1-5H2;1H.
What are the key properties of 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride?
1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride is sourced from PubChem (CID 18934731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).