2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride

C8H13ClN2 — CID 172822904

IUPAC2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride
SMILESC1=CCN2CCCNC2=C1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-2-6-10-7-3-5-9-8(10)4-1;/h1-2,4,9H,3,5-7H2;1H
InChIKeyULSNMQVTRZRLAX-UHFFFAOYSA-N
MW172.66 g/mol
LogP1.11
Rot. Bonds

About 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride

2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride (PubChem CID 172822904) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride
PubChem CID172822904
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride
SMILESC1=CCN2CCCNC2=C1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-2-6-10-7-3-5-9-8(10)4-1;/h1-2,4,9H,3,5-7H2;1H
InChIKeyULSNMQVTRZRLAX-UHFFFAOYSA-N
XLogP1.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride?
The IUPAC name of 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride (CID 172822904) is 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride.
What is the SMILES notation for 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride?
The canonical SMILES for 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride is C1=CCN2CCCNC2=C1.Cl.
What is the InChIKey of 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride?
The InChIKey is ULSNMQVTRZRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.ClH/c1-2-6-10-7-3-5-9-8(10)4-1;/h1-2,4,9H,3,5-7H2;1H.
What are the key properties of 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride?
2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride has a molecular weight of 172.66 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine;hydrochloride is sourced from PubChem (CID 172822904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).