3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine

C16H22N6O — CID 75499758

IUPAC3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine
SMILESCC(C)Oc1nccnc1NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H22N6O/c1-12(2)23-15-14(17-8-9-18-15)21-13-4-10-22(11-5-13)16-19-6-3-7-20-16/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H,17,21)
InChIKeyOAEVCYXPOZCXDJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.13
Rot. Bonds5

About 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine

3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 75499758) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine
PubChem CID75499758
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine
SMILESCC(C)Oc1nccnc1NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H22N6O/c1-12(2)23-15-14(17-8-9-18-15)21-13-4-10-22(11-5-13)16-19-6-3-7-20-16/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H,17,21)
InChIKeyOAEVCYXPOZCXDJ-UHFFFAOYSA-N
XLogP2.13
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine (CID 75499758) is 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine is CC(C)Oc1nccnc1NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is OAEVCYXPOZCXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12(2)23-15-14(17-8-9-18-15)21-13-4-10-22(11-5-13)16-19-6-3-7-20-16/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H,17,21).
What are the key properties of 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine?
3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 75499758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).