6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine

C13H19N5O — CID 66330166

IUPAC6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1cccn1)Nc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H19N5O/c1-10(2)19-13-7-12(14-9-15-13)17-11(3)8-18-6-4-5-16-18/h4-7,9-11H,8H2,1-3H3,(H,14,15,17)
InChIKeyCJDYENAPEZCFQU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.96
Rot. Bonds6

About 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine

6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 66330166) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID66330166
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1cccn1)Nc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H19N5O/c1-10(2)19-13-7-12(14-9-15-13)17-11(3)8-18-6-4-5-16-18/h4-7,9-11H,8H2,1-3H3,(H,14,15,17)
InChIKeyCJDYENAPEZCFQU-UHFFFAOYSA-N
XLogP1.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine (CID 66330166) is 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine is CC(Cn1cccn1)Nc1cc(OC(C)C)ncn1.
What is the InChIKey of 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is CJDYENAPEZCFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)19-13-7-12(14-9-15-13)17-11(3)8-18-6-4-5-16-18/h4-7,9-11H,8H2,1-3H3,(H,14,15,17).
What are the key properties of 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66330166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).