5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

C15H18BrN3O2 — CID 66295836

IUPAC5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccc(OC(C)C)cc2)nc(N)c1Br
InChIInChI=1S/C15H18BrN3O2/c1-9(2)21-11-6-4-10(5-7-11)15-18-12(8-20-3)13(16)14(17)19-15/h4-7,9H,8H2,1-3H3,(H2,17,18,19)
InChIKeyHRSWGGWMKJDAJH-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.42
Rot. Bonds5

About 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 66295836) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID66295836
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccc(OC(C)C)cc2)nc(N)c1Br
InChIInChI=1S/C15H18BrN3O2/c1-9(2)21-11-6-4-10(5-7-11)15-18-12(8-20-3)13(16)14(17)19-15/h4-7,9H,8H2,1-3H3,(H2,17,18,19)
InChIKeyHRSWGGWMKJDAJH-UHFFFAOYSA-N
XLogP3.42
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 66295836) is 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is COCc1nc(-c2ccc(OC(C)C)cc2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is HRSWGGWMKJDAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9(2)21-11-6-4-10(5-7-11)15-18-12(8-20-3)13(16)14(17)19-15/h4-7,9H,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66295836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).