7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione

C9H10N8O2 — CID 174663660

IUPAC7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione
SMILESNc1nc(N)c2[nH]cnc2n1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N6.C4H4N2O2/c6-3-2-4(9-1-8-2)11-5(7)10-3;7-3-1-2-5-4(8)6-3/h1H,(H5,6,7,8,9,10,11);1-2H,(H2,5,6,7,8)
InChIKeyJBKYLIHWWVHDOM-UHFFFAOYSA-N
MW262.23 g/mol
LogP-1.42
Rot. Bonds

About 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione

7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione (PubChem CID 174663660) has the molecular formula C9H10N8O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione
PubChem CID174663660
Molecular FormulaC9H10N8O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione
SMILESNc1nc(N)c2[nH]cnc2n1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N6.C4H4N2O2/c6-3-2-4(9-1-8-2)11-5(7)10-3;7-3-1-2-5-4(8)6-3/h1H,(H5,6,7,8,9,10,11);1-2H,(H2,5,6,7,8)
InChIKeyJBKYLIHWWVHDOM-UHFFFAOYSA-N
XLogP-1.42
TPSA172.22 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-1.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine
CID 159740059
2-amino-1,7-dihydropurin-6-one;3,7-dihydropurine-2,6-dione;1H-pyrimidine-2,4-dione;hydrochloride
CID 163525060
5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine
CID 165091537
2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine
CID 175436087
acetylene;1H-pyrimidine-2,4-dione
CID 158617730
methylhydrazine;1H-pyrimidine-2,4-dione
CID 70486662
1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;1H-pyrimidine-2,4-dione
CID 135788293
propane;1H-pyrimidine-2,4-dione
CID 19366284
4-amino-2-[(2-amino-7H-purin-6-yl)sulfanyl]-1H-pyrimidin-6-one
CID 136981709
anthracene;1H-pyrimidine-2,4-dione
CID 160812079
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
6-amino-1,7-dihydropurin-2-one;hydrochloride
CID 67634855

Frequently Asked Questions

What is the IUPAC name of 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione?
The IUPAC name of 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione (CID 174663660) is 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione?
The canonical SMILES for 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione is Nc1nc(N)c2[nH]cnc2n1.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione?
The InChIKey is JBKYLIHWWVHDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6.C4H4N2O2/c6-3-2-4(9-1-8-2)11-5(7)10-3;7-3-1-2-5-4(8)6-3/h1H,(H5,6,7,8,9,10,11);1-2H,(H2,5,6,7,8).
What are the key properties of 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione?
7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione has a molecular weight of 262.23 g/mol, XLogP of -1.42, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174663660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).