5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine

C12H20BrN3O — CID 116729378

IUPAC5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)OCC)nc(N)c1Br
InChIInChI=1S/C12H20BrN3O/c1-4-7-8-10(13)11(14)16-12(15-8)9(5-2)17-6-3/h9H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyPWPMMJPZWWFJBF-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.26
Rot. Bonds6

About 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine

5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine (PubChem CID 116729378) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine
PubChem CID116729378
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)OCC)nc(N)c1Br
InChIInChI=1S/C12H20BrN3O/c1-4-7-8-10(13)11(14)16-12(15-8)9(5-2)17-6-3/h9H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyPWPMMJPZWWFJBF-UHFFFAOYSA-N
XLogP3.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
CID 116729384
5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
CID 116729296
5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66298060
2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine
CID 116729178
5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729550
5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729394
5-bromo-2-methyl-6-propylpyrimidin-4-amine
CID 66307126
4-(1-ethoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116734056
5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
CID 116776608
2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
CID 116731898
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325
2-(1-ethoxypropyl)-7H-purin-6-amine
CID 174819126

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine (CID 116729378) is 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine is CCCc1nc(C(CC)OCC)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine?
The InChIKey is PWPMMJPZWWFJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-4-7-8-10(13)11(14)16-12(15-8)9(5-2)17-6-3/h9H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine?
5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine has a molecular weight of 302.22 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116729378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).