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

C13H19N5O — CID 66330165

IUPAC6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCCCOc1cc(NC(C)Cn2cccn2)ncn1
InChIInChI=1S/C13H19N5O/c1-3-7-19-13-8-12(14-10-15-13)17-11(2)9-18-6-4-5-16-18/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,14,15,17)
InChIKeyFWHUVGYDQOHBAK-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.96
Rot. Bonds7

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

6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 66330165) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID66330165
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCCCOc1cc(NC(C)Cn2cccn2)ncn1
InChIInChI=1S/C13H19N5O/c1-3-7-19-13-8-12(14-10-15-13)17-11(2)9-18-6-4-5-16-18/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,14,15,17)
InChIKeyFWHUVGYDQOHBAK-UHFFFAOYSA-N
XLogP1.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine (CID 66330165) is 6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine is CCCOc1cc(NC(C)Cn2cccn2)ncn1.
What is the InChIKey of 6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is FWHUVGYDQOHBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-7-19-13-8-12(14-10-15-13)17-11(2)9-18-6-4-5-16-18/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,14,15,17).
What are the key properties of 6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine?
6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66330165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).