2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one

C8H8N6O2 — CID 155565016

IUPAC2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(=O)[nH]c(N)n2)cc(=O)[nH]1
InChIInChI=1S/C8H8N6O2/c9-7-11-3(1-5(15)13-7)4-2-6(16)14-8(10)12-4/h1-2H,(H3,9,11,13,15)(H3,10,12,14,16)
InChIKeyXMLXFTCCICNLGW-UHFFFAOYSA-N
MW220.19 g/mol
LogP-1.32
Rot. Bonds1

About 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one

2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one (PubChem CID 155565016) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one
PubChem CID155565016
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(=O)[nH]c(N)n2)cc(=O)[nH]1
InChIInChI=1S/C8H8N6O2/c9-7-11-3(1-5(15)13-7)4-2-6(16)14-8(10)12-4/h1-2H,(H3,9,11,13,15)(H3,10,12,14,16)
InChIKeyXMLXFTCCICNLGW-UHFFFAOYSA-N
XLogP-1.32
TPSA143.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Hydroxy-6-methylpyrimidin-2-yl)urea
CID 135408702
CID 161215610
CID 161215610
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 136656875
CID 139212306
CID 139212306
2-amino-4-methyl-1H-pyrimidin-6-one;2,5-diamino-4-methyl-1H-pyrimidin-6-one
CID 135491199
5-Amino-2-[(6-oxo-1,6-dihydropyridin-2-yl)amino]pyrimidin-4(3H)-one
CID 20480321
2-amino-4-methyl-1H-pyrimidin-6-one;propane
CID 141809862
CID 159483057
CID 159483057
2-amino-4-methyl-1H-pyrimidin-6-one;azane
CID 169743862
2,2'-Azanediylbis(6-methylpyrimidin-4(1H)-one)
CID 136218158
Bis-(4-hydroxy-6-methyl-2-pyrimidinyl-amino)methane
CID 137199584

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one (CID 155565016) is 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one is Nc1nc(-c2cc(=O)[nH]c(N)n2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is XMLXFTCCICNLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c9-7-11-3(1-5(15)13-7)4-2-6(16)14-8(10)12-4/h1-2H,(H3,9,11,13,15)(H3,10,12,14,16).
What are the key properties of 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one?
2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 220.19 g/mol, XLogP of -1.32, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-amino-6-oxo-1H-pyrimidin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 155565016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).