3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine

C12H17N5O — CID 66332594

IUPAC3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine
SMILESCCCOc1cc(-n2nc(C)c(N)c2C)ncn1
InChIInChI=1S/C12H17N5O/c1-4-5-18-11-6-10(14-7-15-11)17-9(3)12(13)8(2)16-17/h6-7H,4-5,13H2,1-3H3
InChIKeyXYTNRRABRIYGED-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.65
Rot. Bonds4

About 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine

3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine (PubChem CID 66332594) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine
PubChem CID66332594
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine
SMILESCCCOc1cc(-n2nc(C)c(N)c2C)ncn1
InChIInChI=1S/C12H17N5O/c1-4-5-18-11-6-10(14-7-15-11)17-9(3)12(13)8(2)16-17/h6-7H,4-5,13H2,1-3H3
InChIKeyXYTNRRABRIYGED-UHFFFAOYSA-N
XLogP1.65
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine (CID 66332594) is 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine is CCCOc1cc(-n2nc(C)c(N)c2C)ncn1.
What is the InChIKey of 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine?
The InChIKey is XYTNRRABRIYGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-5-18-11-6-10(14-7-15-11)17-9(3)12(13)8(2)16-17/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine?
3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(6-propoxypyrimidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 66332594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).