5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride

C6H5ClN4O2 — CID 167735409

IUPAC5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride
SMILESCl.O=c1[nH]c(=O)c2ncncc2[nH]1
InChIInChI=1S/C6H4N4O2.ClH/c11-5-4-3(1-7-2-8-4)9-6(12)10-5;/h1-2H,(H2,9,10,11,12);1H
InChIKeyQHNVKEIGTIHHPY-UHFFFAOYSA-N
MW200.59 g/mol
LogP-0.57
Rot. Bonds

About 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride

5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride (PubChem CID 167735409) has the molecular formula C6H5ClN4O2 and a molecular weight of 200.59 g/mol. Its IUPAC name is 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride.

Molecular Properties

Compound Name5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride
PubChem CID167735409
Molecular FormulaC6H5ClN4O2
Molecular Weight200.59 g/mol
Exact Mass200.01
IUPAC Name5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride
SMILESCl.O=c1[nH]c(=O)c2ncncc2[nH]1
InChIInChI=1S/C6H4N4O2.ClH/c11-5-4-3(1-7-2-8-4)9-6(12)10-5;/h1-2H,(H2,9,10,11,12);1H
InChIKeyQHNVKEIGTIHHPY-UHFFFAOYSA-N
XLogP-0.57
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.59
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride?
The IUPAC name of 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride (CID 167735409) is 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride.
What is the SMILES notation for 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride?
The canonical SMILES for 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride is Cl.O=c1[nH]c(=O)c2ncncc2[nH]1.
What is the InChIKey of 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride?
The InChIKey is QHNVKEIGTIHHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2.ClH/c11-5-4-3(1-7-2-8-4)9-6(12)10-5;/h1-2H,(H2,9,10,11,12);1H.
What are the key properties of 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride?
5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride has a molecular weight of 200.59 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrimido[5,4-d]pyrimidine-6,8-dione;hydrochloride is sourced from PubChem (CID 167735409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).