(4,5,6-triaminopyrimidin-2-yl)cyanamide

C5H7N7 — CID 59064757

IUPAC(4,5,6-triaminopyrimidin-2-yl)cyanamide
SMILESN#CNc1nc(N)c(N)c(N)n1
InChIInChI=1S/C5H7N7/c6-1-10-5-11-3(8)2(7)4(9)12-5/h7H2,(H5,8,9,10,11,12)
InChIKeyKRDDJEQAJLQBIO-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.88
Rot. Bonds1

About (4,5,6-triaminopyrimidin-2-yl)cyanamide

(4,5,6-triaminopyrimidin-2-yl)cyanamide (PubChem CID 59064757) has the molecular formula C5H7N7 and a molecular weight of 165.16 g/mol. Its IUPAC name is (4,5,6-triaminopyrimidin-2-yl)cyanamide.

Molecular Properties

Compound Name(4,5,6-triaminopyrimidin-2-yl)cyanamide
PubChem CID59064757
Molecular FormulaC5H7N7
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(4,5,6-triaminopyrimidin-2-yl)cyanamide
SMILESN#CNc1nc(N)c(N)c(N)n1
InChIInChI=1S/C5H7N7/c6-1-10-5-11-3(8)2(7)4(9)12-5/h7H2,(H5,8,9,10,11,12)
InChIKeyKRDDJEQAJLQBIO-UHFFFAOYSA-N
XLogP-0.88
TPSA139.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide
CID 12539665
[4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide
CID 102353616
[4-(cyanoamino)-6-(iminomethylideneamino)-1,3,5-triazin-2-yl]cyanamide
CID 102353617
pyrimidine-2,4,5,6-tetramine dibromide
CID 131726730
5,6,7,8-tetrahydroquinazolin-2-ylcyanamide
CID 56921682
4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 3081364
4-amino-5-methyl-1,3-thiazole-2-carbonitrile
CID 130118597
5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
CID 54463519
3,5-diaminopyrazine-2,6-dicarbonitrile
CID 19022925
[4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide
CID 19841607
ethyl 2-[[4-(cyanoamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 655506
6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine
CID 57482779

Frequently Asked Questions

What is the IUPAC name of (4,5,6-triaminopyrimidin-2-yl)cyanamide?
The IUPAC name of (4,5,6-triaminopyrimidin-2-yl)cyanamide (CID 59064757) is (4,5,6-triaminopyrimidin-2-yl)cyanamide.
What is the SMILES notation for (4,5,6-triaminopyrimidin-2-yl)cyanamide?
The canonical SMILES for (4,5,6-triaminopyrimidin-2-yl)cyanamide is N#CNc1nc(N)c(N)c(N)n1.
What is the InChIKey of (4,5,6-triaminopyrimidin-2-yl)cyanamide?
The InChIKey is KRDDJEQAJLQBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7/c6-1-10-5-11-3(8)2(7)4(9)12-5/h7H2,(H5,8,9,10,11,12).
What are the key properties of (4,5,6-triaminopyrimidin-2-yl)cyanamide?
(4,5,6-triaminopyrimidin-2-yl)cyanamide has a molecular weight of 165.16 g/mol, XLogP of -0.88, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,6-triaminopyrimidin-2-yl)cyanamide is sourced from PubChem (CID 59064757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).