5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C12H16BrN5O — CID 66295644

IUPAC5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2c(C)nn(C)c2C)nc(N)c1Br
InChIInChI=1S/C12H16BrN5O/c1-6-9(7(2)18(3)17-6)12-15-8(5-19-4)10(13)11(14)16-12/h5H2,1-4H3,(H2,14,15,16)
InChIKeyOTEADTJJNLMZQN-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.99
Rot. Bonds3

About 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66295644) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66295644
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2c(C)nn(C)c2C)nc(N)c1Br
InChIInChI=1S/C12H16BrN5O/c1-6-9(7(2)18(3)17-6)12-15-8(5-19-4)10(13)11(14)16-12/h5H2,1-4H3,(H2,14,15,16)
InChIKeyOTEADTJJNLMZQN-UHFFFAOYSA-N
XLogP1.99
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 66295644) is 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is COCc1nc(-c2c(C)nn(C)c2C)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is OTEADTJJNLMZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-6-9(7(2)18(3)17-6)12-15-8(5-19-4)10(13)11(14)16-12/h5H2,1-4H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 326.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66295644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).