2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C15H21N7 — CID 122178551

IUPAC2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESNC1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C15H21N7/c16-11-4-7-22(8-5-11)15-17-6-3-13(19-15)18-14-9-12(20-21-14)10-1-2-10/h3,6,9-11H,1-2,4-5,7-8,16H2,(H2,17,18,19,20,21)
InChIKeyGDXPJJSKIKGEOQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 122178551) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID122178551
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESNC1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C15H21N7/c16-11-4-7-22(8-5-11)15-17-6-3-13(19-15)18-14-9-12(20-21-14)10-1-2-10/h3,6,9-11H,1-2,4-5,7-8,16H2,(H2,17,18,19,20,21)
InChIKeyGDXPJJSKIKGEOQ-UHFFFAOYSA-N
XLogP1.75
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 122178551) is 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine is NC1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is GDXPJJSKIKGEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c16-11-4-7-22(8-5-11)15-17-6-3-13(19-15)18-14-9-12(20-21-14)10-1-2-10/h3,6,9-11H,1-2,4-5,7-8,16H2,(H2,17,18,19,20,21).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 122178551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).