5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine

C10H16BrN3O2 — CID 103746057

IUPAC5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine
SMILESCCOC(C)CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H16BrN3O2/c1-4-16-7(2)5-12-10-13-6-8(11)9(14-10)15-3/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyYVVFVWXHGJBBHE-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.08
Rot. Bonds6

About 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine

5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine (PubChem CID 103746057) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine
PubChem CID103746057
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine
SMILESCCOC(C)CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H16BrN3O2/c1-4-16-7(2)5-12-10-13-6-8(11)9(14-10)15-3/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyYVVFVWXHGJBBHE-UHFFFAOYSA-N
XLogP2.08
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine
CID 103846782
1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine
CID 106999965
N-(2-ethoxypropyl)-5-methylpyrimidin-2-amine
CID 115774164
1-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 103746013
5-bromo-4-methoxy-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 106997923
5-bromo-N-(2-chloro-4,4-dimethylpentyl)-4-methoxypyrimidin-2-amine
CID 107156206
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
CID 80880390
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine (CID 103746057) is 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine is CCOC(C)CNc1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine?
The InChIKey is YVVFVWXHGJBBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-4-16-7(2)5-12-10-13-6-8(11)9(14-10)15-3/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine?
5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine has a molecular weight of 290.16 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 103746057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).