6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

C8H11ClN2O — CID 172791637

IUPAC6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1ccnc2n1CCCC2
InChIInChI=1S/C8H10N2O.ClH/c11-8-4-5-9-7-3-1-2-6-10(7)8;/h4-5H,1-3,6H2;1H
InChIKeyPQLUXAHJPLEJQH-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.00
Rot. Bonds

About 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 172791637) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID172791637
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1ccnc2n1CCCC2
InChIInChI=1S/C8H10N2O.ClH/c11-8-4-5-9-7-3-1-2-6-10(7)8;/h4-5H,1-3,6H2;1H
InChIKeyPQLUXAHJPLEJQH-UHFFFAOYSA-N
XLogP1.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
6,7,8,9-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 526446
3-(3-Piperidin-1-ylpropyl)pyrimidin-4-one
CID 76336113
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 3-methyl
CID 529096
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 7-methyl
CID 529097
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-methyl
CID 529098
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 9-methyl
CID 529099
7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 13149276
9-Hydrazono-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 20455427
9-Hydrazinylidene-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 57038765
2-Amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83873338

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 172791637) is 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.O=c1ccnc2n1CCCC2.
What is the InChIKey of 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is PQLUXAHJPLEJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c11-8-4-5-9-7-3-1-2-6-10(7)8;/h4-5H,1-3,6H2;1H.
What are the key properties of 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride?
6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 172791637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).