3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine

C12H17N5O — CID 66332027

IUPAC3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine
SMILESCc1nn(-c2cc(OC(C)C)ncn2)c(C)c1N
InChIInChI=1S/C12H17N5O/c1-7(2)18-11-5-10(14-6-15-11)17-9(4)12(13)8(3)16-17/h5-7H,13H2,1-4H3
InChIKeyKVFFRAMYNDBLBZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.65
Rot. Bonds3

About 3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine

3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine (PubChem CID 66332027) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine
PubChem CID66332027
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine
SMILESCc1nn(-c2cc(OC(C)C)ncn2)c(C)c1N
InChIInChI=1S/C12H17N5O/c1-7(2)18-11-5-10(14-6-15-11)17-9(4)12(13)8(3)16-17/h5-7H,13H2,1-4H3
InChIKeyKVFFRAMYNDBLBZ-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine (CID 66332027) is 3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine is Cc1nn(-c2cc(OC(C)C)ncn2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine?
The InChIKey is KVFFRAMYNDBLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7(2)18-11-5-10(14-6-15-11)17-9(4)12(13)8(3)16-17/h5-7H,13H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine?
3,5-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.65, 3 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-propan-2-yloxypyrimidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 66332027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).