6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine

C14H16BrN3O — CID 80864667

IUPAC6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(Br)cc2)c1C
InChIInChI=1S/C14H16BrN3O/c1-3-8-16-13-10(2)14(18-9-17-13)19-12-6-4-11(15)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyWZFPGRVIQGCXIK-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.16
Rot. Bonds5

About 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine

6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80864667) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80864667
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(Br)cc2)c1C
InChIInChI=1S/C14H16BrN3O/c1-3-8-16-13-10(2)14(18-9-17-13)19-12-6-4-11(15)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyWZFPGRVIQGCXIK-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

6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
5-methyl-6-(4-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80879024
6-(4-bromophenoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 23487454
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine (CID 80864667) is 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Oc2ccc(Br)cc2)c1C.
What is the InChIKey of 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is WZFPGRVIQGCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-8-16-13-10(2)14(18-9-17-13)19-12-6-4-11(15)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine?
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-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 6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80864667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).