1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine

C13H21N5 — CID 80553075

IUPAC1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ncccn3)C2)CC1
InChIInChI=1S/C13H21N5/c14-11-2-7-17(8-3-11)12-4-9-18(10-12)13-15-5-1-6-16-13/h1,5-6,11-12H,2-4,7-10,14H2
InChIKeyDMJCXPQXBHTZME-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.48
Rot. Bonds2

About 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine

1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine (PubChem CID 80553075) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine
PubChem CID80553075
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ncccn3)C2)CC1
InChIInChI=1S/C13H21N5/c14-11-2-7-17(8-3-11)12-4-9-18(10-12)13-15-5-1-6-16-13/h1,5-6,11-12H,2-4,7-10,14H2
InChIKeyDMJCXPQXBHTZME-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 104606397
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553204
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735
1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 104777592
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061360
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile
CID 80553149
3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 79465987
1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553095
2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine
CID 102960793
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine?
The IUPAC name of 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine (CID 80553075) is 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine is NC1CCN(C2CCN(c3ncccn3)C2)CC1.
What is the InChIKey of 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine?
The InChIKey is DMJCXPQXBHTZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c14-11-2-7-17(8-3-11)12-4-9-18(10-12)13-15-5-1-6-16-13/h1,5-6,11-12H,2-4,7-10,14H2.
What are the key properties of 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine?
1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 80553075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).