5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine

C14H16BrN3O3 — CID 66295840

IUPAC5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(-c2cccc(OC)c2OC)nc(N)c1Br
InChIInChI=1S/C14H16BrN3O3/c1-19-7-9-11(15)13(16)18-14(17-9)8-5-4-6-10(20-2)12(8)21-3/h4-6H,7H2,1-3H3,(H2,16,17,18)
InChIKeyFQNYYMVOPRGDHT-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.65
Rot. Bonds5

About 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine

5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 66295840) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID66295840
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(-c2cccc(OC)c2OC)nc(N)c1Br
InChIInChI=1S/C14H16BrN3O3/c1-19-7-9-11(15)13(16)18-14(17-9)8-5-4-6-10(20-2)12(8)21-3/h4-6H,7H2,1-3H3,(H2,16,17,18)
InChIKeyFQNYYMVOPRGDHT-UHFFFAOYSA-N
XLogP2.65
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 66300553
5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine
CID 66297765
5-bromo-2-(3-chloro-2-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 114488741
5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295791
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471
2-(2,3-dimethoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201180
4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine
CID 62320318
5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375038
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806840
5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 66297571
5-bromo-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 66298593

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 66295840) is 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1nc(-c2cccc(OC)c2OC)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is FQNYYMVOPRGDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-19-7-9-11(15)13(16)18-14(17-9)8-5-4-6-10(20-2)12(8)21-3/h4-6H,7H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine?
5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 354.20 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66295840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).