2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one

C8H8ClN3O — CID 154641367

IUPAC2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCCn1c(Cl)nc2cc[nH]c2c1=O
InChIInChI=1S/C8H8ClN3O/c1-2-12-7(13)6-5(3-4-10-6)11-8(12)9/h3-4,10H,2H2,1H3
InChIKeyYPHDPPLWPHGZOU-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.40
Rot. Bonds1

About 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one

2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 154641367) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID154641367
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCCn1c(Cl)nc2cc[nH]c2c1=O
InChIInChI=1S/C8H8ClN3O/c1-2-12-7(13)6-5(3-4-10-6)11-8(12)9/h3-4,10H,2H2,1H3
InChIKeyYPHDPPLWPHGZOU-UHFFFAOYSA-N
XLogP1.40
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one (CID 154641367) is 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one is CCn1c(Cl)nc2cc[nH]c2c1=O.
What is the InChIKey of 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is YPHDPPLWPHGZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-2-12-7(13)6-5(3-4-10-6)11-8(12)9/h3-4,10H,2H2,1H3.
What are the key properties of 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 197.62 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 154641367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).