methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride

C10H16ClN3O2 — CID 170910284

IUPACmethyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride
SMILESCOC(=O)CCc1cnc2n1CCCN2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-15-9(14)4-3-8-7-12-10-11-5-2-6-13(8)10;/h7H,2-6H2,1H3,(H,11,12);1H
InChIKeyBUKCCZUTTZCOLA-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.23
Rot. Bonds3

About methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride

methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride (PubChem CID 170910284) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride
PubChem CID170910284
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Namemethyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride
SMILESCOC(=O)CCc1cnc2n1CCCN2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-15-9(14)4-3-8-7-12-10-11-5-2-6-13(8)10;/h7H,2-6H2,1H3,(H,11,12);1H
InChIKeyBUKCCZUTTZCOLA-UHFFFAOYSA-N
XLogP1.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride (CID 170910284) is methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride is COC(=O)CCc1cnc2n1CCCN2.Cl.
What is the InChIKey of methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride?
The InChIKey is BUKCCZUTTZCOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-15-9(14)4-3-8-7-12-10-11-5-2-6-13(8)10;/h7H,2-6H2,1H3,(H,11,12);1H.
What are the key properties of methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride?
methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 170910284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).