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

C14H20BrN5O — CID 66296999

IUPAC5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1Br
InChIInChI=1S/C14H20BrN5O/c1-6-16-14-12(15)10(7-21-5)17-13(18-14)11-8(2)19-20(4)9(11)3/h6-7H2,1-5H3,(H,16,17,18)
InChIKeyUTEFSFAGSKUPNO-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.83
Rot. Bonds5

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

5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66296999) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66296999
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1Br
InChIInChI=1S/C14H20BrN5O/c1-6-16-14-12(15)10(7-21-5)17-13(18-14)11-8(2)19-20(4)9(11)3/h6-7H2,1-5H3,(H,16,17,18)
InChIKeyUTEFSFAGSKUPNO-UHFFFAOYSA-N
XLogP2.83
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 66296999) is 5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is CCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is UTEFSFAGSKUPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-6-16-14-12(15)10(7-21-5)17-13(18-14)11-8(2)19-20(4)9(11)3/h6-7H2,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 354.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66296999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).