5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine

C13H14BrN3O — CID 66296050

IUPAC5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(-c2ncc(Br)c(N)n2)cc1
InChIInChI=1S/C13H14BrN3O/c1-2-7-18-10-5-3-9(4-6-10)13-16-8-11(14)12(15)17-13/h3-6,8H,2,7H2,1H3,(H2,15,16,17)
InChIKeyZVRUCOKFEKHYRK-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.28
Rot. Bonds4

About 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine

5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine (PubChem CID 66296050) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine
PubChem CID66296050
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(-c2ncc(Br)c(N)n2)cc1
InChIInChI=1S/C13H14BrN3O/c1-2-7-18-10-5-3-9(4-6-10)13-16-8-11(14)12(15)17-13/h3-6,8H,2,7H2,1H3,(H2,15,16,17)
InChIKeyZVRUCOKFEKHYRK-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-5-iodo-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 66312982
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090
2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 66296065
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80916147
5-(2-bromophenyl)-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
CID 3935591
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 83823920

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine (CID 66296050) is 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine is CCCOc1ccc(-c2ncc(Br)c(N)n2)cc1.
What is the InChIKey of 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine?
The InChIKey is ZVRUCOKFEKHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-7-18-10-5-3-9(4-6-10)13-16-8-11(14)12(15)17-13/h3-6,8H,2,7H2,1H3,(H2,15,16,17).
What are the key properties of 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine?
5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66296050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).