4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine

C16H24N6 — CID 129086023

IUPAC4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(NCCCN3CCCCC3)n2)cn1
InChIInChI=1S/C16H24N6/c1-21-13-14(12-19-21)15-6-8-18-16(20-15)17-7-5-11-22-9-3-2-4-10-22/h6,8,12-13H,2-5,7,9-11H2,1H3,(H,17,18,20)
InChIKeyZCFHYFRADLEKBQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.16
Rot. Bonds6

About 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine

4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine (PubChem CID 129086023) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
PubChem CID129086023
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
SMILESCn1cc(-c2ccnc(NCCCN3CCCCC3)n2)cn1
InChIInChI=1S/C16H24N6/c1-21-13-14(12-19-21)15-6-8-18-16(20-15)17-7-5-11-22-9-3-2-4-10-22/h6,8,12-13H,2-5,7,9-11H2,1H3,(H,17,18,20)
InChIKeyZCFHYFRADLEKBQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-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 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine (CID 129086023) is 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine is Cn1cc(-c2ccnc(NCCCN3CCCCC3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is ZCFHYFRADLEKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-21-13-14(12-19-21)15-6-8-18-16(20-15)17-7-5-11-22-9-3-2-4-10-22/h6,8,12-13H,2-5,7,9-11H2,1H3,(H,17,18,20).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine?
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 129086023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).