6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine

C14H16BrN3O — CID 82825781

IUPAC6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCc1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-2-5-11-13(16)17-9-18-14(11)19-8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18)
InChIKeyICQVKISUAJGJAP-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.35
Rot. Bonds5

About 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine

6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine (PubChem CID 82825781) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine
PubChem CID82825781
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCc1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-2-5-11-13(16)17-9-18-14(11)19-8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18)
InChIKeyICQVKISUAJGJAP-UHFFFAOYSA-N
XLogP3.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine (CID 82825781) is 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1OCc1ccccc1Br.
What is the InChIKey of 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine?
The InChIKey is ICQVKISUAJGJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-5-11-13(16)17-9-18-14(11)19-8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H2,16,17,18).
What are the key properties of 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine?
6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 82825781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).