5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine

C10H16BrN3O2 — CID 80858542

IUPAC5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(OCCOC)n1
InChIInChI=1S/C10H16BrN3O2/c1-3-4-12-10-13-7-8(11)9(14-10)16-6-5-15-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyIUUUVKNHMCUQCT-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.09
Rot. Bonds7

About 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine

5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine (PubChem CID 80858542) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
PubChem CID80858542
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(OCCOC)n1
InChIInChI=1S/C10H16BrN3O2/c1-3-4-12-10-13-7-8(11)9(14-10)16-6-5-15-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyIUUUVKNHMCUQCT-UHFFFAOYSA-N
XLogP2.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865636
4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 104568288
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine
CID 80861307
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80880911
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine (CID 80858542) is 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(OCCOC)n1.
What is the InChIKey of 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine?
The InChIKey is IUUUVKNHMCUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-4-12-10-13-7-8(11)9(14-10)16-6-5-15-2/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine?
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine has a molecular weight of 290.16 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80858542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).