6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride

C8H13ClN4O2 — CID 139026489

IUPAC6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.N[C@H]1CCN(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C8H12N4O2.ClH/c9-5-1-2-12(4-5)6-3-7(13)11-8(14)10-6;/h3,5H,1-2,4,9H2,(H2,10,11,13,14);1H/t5-;/m0./s1
InChIKeyPLXCBNBSSTYASP-JEDNCBNOSA-N
MW232.67 g/mol
LogP-0.98
Rot. Bonds1

About 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride

6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 139026489) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID139026489
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.N[C@H]1CCN(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C8H12N4O2.ClH/c9-5-1-2-12(4-5)6-3-7(13)11-8(14)10-6;/h3,5H,1-2,4,9H2,(H2,10,11,13,14);1H/t5-;/m0./s1
InChIKeyPLXCBNBSSTYASP-JEDNCBNOSA-N
XLogP-0.98
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride (CID 139026489) is 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride is Cl.N[C@H]1CCN(c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is PLXCBNBSSTYASP-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H12N4O2.ClH/c9-5-1-2-12(4-5)6-3-7(13)11-8(14)10-6;/h3,5H,1-2,4,9H2,(H2,10,11,13,14);1H/t5-;/m0./s1.
What are the key properties of 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride?
6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 232.67 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 139026489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).