N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide

C5H8N6O — CID 54332868

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide
SMILESCN(C=O)c1nc(N)nc(N)n1
InChIInChI=1S/C5H8N6O/c1-11(2-12)5-9-3(6)8-4(7)10-5/h2H,1H3,(H4,6,7,8,9,10)
InChIKeySZOLIVJARLXEFZ-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.37
Rot. Bonds2

About N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide

N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide (PubChem CID 54332868) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide
PubChem CID54332868
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide
SMILESCN(C=O)c1nc(N)nc(N)n1
InChIInChI=1S/C5H8N6O/c1-11(2-12)5-9-3(6)8-4(7)10-5/h2H,1H3,(H4,6,7,8,9,10)
InChIKeySZOLIVJARLXEFZ-UHFFFAOYSA-N
XLogP-1.37
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide
CID 25796
Hmmm TP243
CID 156601176
Hmmm TP375
CID 156601178
Hmmm TP287
CID 156601179
Melamine formamide
CID 23023290
N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide
CID 173426731
N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 326498
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]formamide
CID 326499
Pentamethyl-N-formylmelamine
CID 358715
6-Methoxy-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
CID 12924257
1-(4,6-Diamino-1,3,5-triazin-2-yl)-3-methylurea
CID 18366364

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide (CID 54332868) is N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide is CN(C=O)c1nc(N)nc(N)n1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide?
The InChIKey is SZOLIVJARLXEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c1-11(2-12)5-9-3(6)8-4(7)10-5/h2H,1H3,(H4,6,7,8,9,10).
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide?
N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide has a molecular weight of 168.16 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide is sourced from PubChem (CID 54332868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).