4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine

C14H16BrN3O — CID 80860263

IUPAC4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C14H16BrN3O/c1-3-7-16-14-17-8-6-13(18-14)19-12-5-4-10(2)9-11(12)15/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyCCIBBOBQZHPMBU-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.16
Rot. Bonds5

About 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine

4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80860263) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
PubChem CID80860263
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C14H16BrN3O/c1-3-7-16-14-17-8-6-13(18-14)19-12-5-4-10(2)9-11(12)15/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyCCIBBOBQZHPMBU-UHFFFAOYSA-N
XLogP4.16
TPSA47.04 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80881715
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
CID 80860694
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80878871
4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80874328
4-(2,5-dimethylpyrazol-3-yl)oxy-N-propylpyrimidin-2-amine
CID 81346031
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 116691319
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
4-(2-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80875415
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine (CID 80860263) is 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine is CCCNc1nccc(Oc2ccc(C)cc2Br)n1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is CCIBBOBQZHPMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-7-16-14-17-8-6-13(18-14)19-12-5-4-10(2)9-11(12)15/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine?
4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80860263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).