2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine

C12H15BrN2 — CID 141286821

IUPAC2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine
SMILESCCC(Br)C1=CCN2C(C)=CC=CC2=N1
InChIInChI=1S/C12H15BrN2/c1-3-10(13)11-7-8-15-9(2)5-4-6-12(15)14-11/h4-7,10H,3,8H2,1-2H3
InChIKeySUUHDEVBNXXESY-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.23
Rot. Bonds2

About 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine

2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine (PubChem CID 141286821) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine
PubChem CID141286821
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine
SMILESCCC(Br)C1=CCN2C(C)=CC=CC2=N1
InChIInChI=1S/C12H15BrN2/c1-3-10(13)11-7-8-15-9(2)5-4-6-12(15)14-11/h4-7,10H,3,8H2,1-2H3
InChIKeySUUHDEVBNXXESY-UHFFFAOYSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
CID 141214894
2-(1-bromopropyl)-3-iodo-6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 141286843
3-bromo-2-(1-chloroethyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 141286853
3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidine
CID 141326782
(4E)-2-methyl-4-propylidenepyrido[1,2-a]pyrimidine
CID 141845019
5-bromo-1,6-dimethyl-N-[(E)-pent-1-enyl]pyridin-2-imine
CID 145432403
4-bromo-2-propan-2-yl-4H-pyrido[1,2-a]pyrimidine
CID 167404788

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine (CID 141286821) is 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine is CCC(Br)C1=CCN2C(C)=CC=CC2=N1.
What is the InChIKey of 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is SUUHDEVBNXXESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-3-10(13)11-7-8-15-9(2)5-4-6-12(15)14-11/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine?
2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 267.17 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141286821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).