pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride

C6H4ClN3O — CID 144909195

IUPACpyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCl.O=C1N=CN=C2N=CC=C12
InChIInChI=1S/C6H3N3O.ClH/c10-6-4-1-2-7-5(4)8-3-9-6;/h1-3H;1H
InChIKeyBTYHYFCEBBEMFL-UHFFFAOYSA-N
MW169.57 g/mol
LogP0.39
Rot. Bonds

About pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride

pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 144909195) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Namepyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID144909195
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Namepyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCl.O=C1N=CN=C2N=CC=C12
InChIInChI=1S/C6H3N3O.ClH/c10-6-4-1-2-7-5(4)8-3-9-6;/h1-3H;1H
InChIKeyBTYHYFCEBBEMFL-UHFFFAOYSA-N
XLogP0.39
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride (CID 144909195) is pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride is Cl.O=C1N=CN=C2N=CC=C12.
What is the InChIKey of pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is BTYHYFCEBBEMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O.ClH/c10-6-4-1-2-7-5(4)8-3-9-6;/h1-3H;1H.
What are the key properties of pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 169.57 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 144909195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).