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

C15H18BrN3O — CID 82826084

IUPAC4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3O/c1-3-8-17-15-18-9-11(2)14(19-15)20-10-12-6-4-5-7-13(12)16/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyMQAXHMQQHSPYSF-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.95
Rot. Bonds6

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

4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 82826084) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
PubChem CID82826084
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3O/c1-3-8-17-15-18-9-11(2)14(19-15)20-10-12-6-4-5-7-13(12)16/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyMQAXHMQQHSPYSF-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine (CID 82826084) is 4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(OCc2ccccc2Br)n1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is MQAXHMQQHSPYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-8-17-15-18-9-11(2)14(19-15)20-10-12-6-4-5-7-13(12)16/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine?
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 82826084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).