1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine

C13H21N5 — CID 53185814

IUPAC1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine
SMILESNC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C13H21N5/c14-11-4-3-7-18(9-11)13-8-12(15-10-16-13)17-5-1-2-6-17/h8,10-11H,1-7,9,14H2
InChIKeyNDUQATOERCLXSQ-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.00
Rot. Bonds2

About 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine

1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine (PubChem CID 53185814) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine
PubChem CID53185814
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine
SMILESNC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C13H21N5/c14-11-4-3-7-18(9-11)13-8-12(15-10-16-13)17-5-1-2-6-17/h8,10-11H,1-7,9,14H2
InChIKeyNDUQATOERCLXSQ-UHFFFAOYSA-N
XLogP1.00
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-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 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine?
The IUPAC name of 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine (CID 53185814) is 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine.
What is the SMILES notation for 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine?
The canonical SMILES for 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine is NC1CCCN(c2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine?
The InChIKey is NDUQATOERCLXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c14-11-4-3-7-18(9-11)13-8-12(15-10-16-13)17-5-1-2-6-17/h8,10-11H,1-7,9,14H2.
What are the key properties of 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine?
1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine has a molecular weight of 247.35 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-amine is sourced from PubChem (CID 53185814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).