9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride

C9H11ClN2 — CID 173405474

IUPAC9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride
SMILESCC1=CC=CN2CC=CN=C12.Cl
InChIInChI=1S/C9H10N2.ClH/c1-8-4-2-6-11-7-3-5-10-9(8)11;/h2-6H,7H2,1H3;1H
InChIKeyDWHSCTLTUATTDJ-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.11
Rot. Bonds

About 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride

9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride (PubChem CID 173405474) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride
PubChem CID173405474
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride
SMILESCC1=CC=CN2CC=CN=C12.Cl
InChIInChI=1S/C9H10N2.ClH/c1-8-4-2-6-11-7-3-5-10-9(8)11;/h2-6H,7H2,1H3;1H
InChIKeyDWHSCTLTUATTDJ-UHFFFAOYSA-N
XLogP2.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride?
The IUPAC name of 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride (CID 173405474) is 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride.
What is the SMILES notation for 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride?
The canonical SMILES for 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride is CC1=CC=CN2CC=CN=C12.Cl.
What is the InChIKey of 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride?
The InChIKey is DWHSCTLTUATTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.ClH/c1-8-4-2-6-11-7-3-5-10-9(8)11;/h2-6H,7H2,1H3;1H.
What are the key properties of 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride?
9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride is sourced from PubChem (CID 173405474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).