4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride

C8H12ClN3O2 — CID 66569893

IUPAC4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1cc(O[C@@H]2CCNC2)nc[nH]1
InChIInChI=1S/C8H11N3O2.ClH/c12-7-3-8(11-5-10-7)13-6-1-2-9-4-6;/h3,5-6,9H,1-2,4H2,(H,10,11,12);1H/t6-;/m1./s1
InChIKeySBIMUGGKGJNWHK-FYZOBXCZSA-N
MW217.66 g/mol
LogP-0.07
Rot. Bonds2

About 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride

4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride (PubChem CID 66569893) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride
PubChem CID66569893
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1cc(O[C@@H]2CCNC2)nc[nH]1
InChIInChI=1S/C8H11N3O2.ClH/c12-7-3-8(11-5-10-7)13-6-1-2-9-4-6;/h3,5-6,9H,1-2,4H2,(H,10,11,12);1H/t6-;/m1./s1
InChIKeySBIMUGGKGJNWHK-FYZOBXCZSA-N
XLogP-0.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride (CID 66569893) is 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride is Cl.O=c1cc(O[C@@H]2CCNC2)nc[nH]1.
What is the InChIKey of 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is SBIMUGGKGJNWHK-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c12-7-3-8(11-5-10-7)13-6-1-2-9-4-6;/h3,5-6,9H,1-2,4H2,(H,10,11,12);1H/t6-;/m1./s1.
What are the key properties of 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride?
4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 66569893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).