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

C12H17N5O — CID 55062298

IUPAC6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H17N5O/c1-7-11(8(2)17(3)16-7)12-14-9(6-18-4)5-10(13)15-12/h5H,6H2,1-4H3,(H2,13,14,15)
InChIKeyYOTZEVCKWMAWDW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.22
Rot. Bonds3

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

6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 55062298) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID55062298
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H17N5O/c1-7-11(8(2)17(3)16-7)12-14-9(6-18-4)5-10(13)15-12/h5H,6H2,1-4H3,(H2,13,14,15)
InChIKeyYOTZEVCKWMAWDW-UHFFFAOYSA-N
XLogP1.22
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 55062298) is 6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is COCc1cc(N)nc(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of 6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is YOTZEVCKWMAWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-11(8(2)17(3)16-7)12-14-9(6-18-4)5-10(13)15-12/h5H,6H2,1-4H3,(H2,13,14,15).
What are the key properties of 6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 55062298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).