2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride

C6H7ClN4O — CID 169060191

IUPAC2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCl.Nc1nc2[nH]ccc2c(=O)[nH]1
InChIInChI=1S/C6H6N4O.ClH/c7-6-9-4-3(1-2-8-4)5(11)10-6;/h1-2H,(H4,7,8,9,10,11);1H
InChIKeyYXHFSACPNQVSBJ-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.26
Rot. Bonds

About 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride

2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 169060191) has the molecular formula C6H7ClN4O and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID169060191
Molecular FormulaC6H7ClN4O
Molecular Weight186.60 g/mol
Exact Mass186.03
IUPAC Name2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCl.Nc1nc2[nH]ccc2c(=O)[nH]1
InChIInChI=1S/C6H6N4O.ClH/c7-6-9-4-3(1-2-8-4)5(11)10-6;/h1-2H,(H4,7,8,9,10,11);1H
InChIKeyYXHFSACPNQVSBJ-UHFFFAOYSA-N
XLogP0.26
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride (CID 169060191) is 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride is Cl.Nc1nc2[nH]ccc2c(=O)[nH]1.
What is the InChIKey of 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is YXHFSACPNQVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O.ClH/c7-6-9-4-3(1-2-8-4)5(11)10-6;/h1-2H,(H4,7,8,9,10,11);1H.
What are the key properties of 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 186.60 g/mol, XLogP of 0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 169060191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).