3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine

C12H15BrN2 — CID 141214894

IUPAC3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
SMILESCCCCC1=C(Br)CN2C=CC=CC2=N1
InChIInChI=1S/C12H15BrN2/c1-2-3-6-11-10(13)9-15-8-5-4-7-12(15)14-11/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyHEUSEGVRRFATFA-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.58
Rot. Bonds3

About 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine

3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine (PubChem CID 141214894) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
PubChem CID141214894
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
SMILESCCCCC1=C(Br)CN2C=CC=CC2=N1
InChIInChI=1S/C12H15BrN2/c1-2-3-6-11-10(13)9-15-8-5-4-7-12(15)14-11/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyHEUSEGVRRFATFA-UHFFFAOYSA-N
XLogP3.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-butyl-8-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidine
CID 141214871
5-Bromo-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(15),2,4,6,9-pentaene
CID 67261781
2-(1-bromopropyl)-6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 141286821
2-(1-bromopropyl)-3-iodo-6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 141286843
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
2,4-dimethyl-4H-pyrido[1,2-a]pyrimidine
CID 420789
2,4-dimethyl-2H-pyrido[1,2-a]pyrimidine
CID 10080661

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine (CID 141214894) is 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine is CCCCC1=C(Br)CN2C=CC=CC2=N1.
What is the InChIKey of 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is HEUSEGVRRFATFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-2-3-6-11-10(13)9-15-8-5-4-7-12(15)14-11/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine?
3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 267.17 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141214894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).