1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride

C8H13ClN4 — CID 71644293

IUPAC1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(c2ncccn2)C1
InChIInChI=1S/C8H12N4.ClH/c9-7-2-5-12(6-7)8-10-3-1-4-11-8;/h1,3-4,7H,2,5-6,9H2;1H
InChIKeyCRNMEOXZGMHGBO-UHFFFAOYSA-N
MW200.67 g/mol
LogP0.44
Rot. Bonds1

About 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride

1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride (PubChem CID 71644293) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
PubChem CID71644293
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(c2ncccn2)C1
InChIInChI=1S/C8H12N4.ClH/c9-7-2-5-12(6-7)8-10-3-1-4-11-8;/h1,3-4,7H,2,5-6,9H2;1H
InChIKeyCRNMEOXZGMHGBO-UHFFFAOYSA-N
XLogP0.44
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride (CID 71644293) is 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride?
The InChIKey is CRNMEOXZGMHGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.ClH/c9-7-2-5-12(6-7)8-10-3-1-4-11-8;/h1,3-4,7H,2,5-6,9H2;1H.
What are the key properties of 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride?
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71644293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).