4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride

C8H12ClN3O2 — CID 118797642

IUPAC4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1cc(OC2CCNC2)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
InChIKeySBIMUGGKGJNWHK-UHFFFAOYSA-N
MW217.66 g/mol
LogP-0.07
Rot. Bonds2

About 4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride

4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride (PubChem CID 118797642) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride
PubChem CID118797642
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1cc(OC2CCNC2)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
InChIKeySBIMUGGKGJNWHK-UHFFFAOYSA-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-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride (CID 118797642) is 4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride is Cl.O=c1cc(OC2CCNC2)nc[nH]1.
What is the InChIKey of 4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is SBIMUGGKGJNWHK-UHFFFAOYSA-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.
What are the key properties of 4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride?
4-pyrrolidin-3-yloxy-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-pyrrolidin-3-yloxy-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 118797642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).