1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine

C6H11N9O — CID 70438896

IUPAC1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine
SMILESNC(N)=NN=C(N)Nn1ccc(N)nc1=O
InChIInChI=1S/C6H11N9O/c7-3-1-2-15(6(16)11-3)14-5(10)13-12-4(8)9/h1-2H,(H2,7,11,16)(H4,8,9,12)(H3,10,13,14)
InChIKeyIQJBGGPKGAVHFI-UHFFFAOYSA-N
MW225.22 g/mol
LogP-3.13
Rot. Bonds2

About 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine

1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine (PubChem CID 70438896) has the molecular formula C6H11N9O and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine.

Molecular Properties

Compound Name1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine
PubChem CID70438896
Molecular FormulaC6H11N9O
Molecular Weight225.22 g/mol
Exact Mass225.11
IUPAC Name1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine
SMILESNC(N)=NN=C(N)Nn1ccc(N)nc1=O
InChIInChI=1S/C6H11N9O/c7-3-1-2-15(6(16)11-3)14-5(10)13-12-4(8)9/h1-2H,(H2,7,11,16)(H4,8,9,12)(H3,10,13,14)
InChIKeyIQJBGGPKGAVHFI-UHFFFAOYSA-N
XLogP-3.13
TPSA175.72 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-3.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-oxopyrimidin-1-yl)guanidine
CID 57450610
4-amino-1-methylpyrimidin-2-one;hydrobromide
CID 91983314
4-amino-1-prop-1-en-2-ylpyrimidin-2-one
CID 145434228
1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
4-amino-1-prop-2-enoylpyrimidin-2-one
CID 152628564
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
[3-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxypropyl]-trimethylazanium
CID 10515656
(2-oxopyrimidin-1-yl)urea
CID 140554504
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
(2S)-4-amino-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-4-oxobutanoic acid
CID 101202248
(2S,3R)-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxybutanoic acid
CID 101005574

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine?
The IUPAC name of 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine (CID 70438896) is 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine.
What is the SMILES notation for 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine?
The canonical SMILES for 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine is NC(N)=NN=C(N)Nn1ccc(N)nc1=O.
What is the InChIKey of 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine?
The InChIKey is IQJBGGPKGAVHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N9O/c7-3-1-2-15(6(16)11-3)14-5(10)13-12-4(8)9/h1-2H,(H2,7,11,16)(H4,8,9,12)(H3,10,13,14).
What are the key properties of 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine?
1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine has a molecular weight of 225.22 g/mol, XLogP of -3.13, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-oxopyrimidin-1-yl)-2-(diaminomethylideneamino)guanidine is sourced from PubChem (CID 70438896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).