1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea

C6H11N7O — CID 19909971

IUPAC1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea
SMILESCNc1nc(N)nc(N(C)C(N)=O)n1
InChIInChI=1S/C6H11N7O/c1-9-5-10-3(7)11-6(12-5)13(2)4(8)14/h1-2H3,(H2,8,14)(H3,7,9,10,11,12)
InChIKeyGAIQJCNMWKXWDX-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.99
Rot. Bonds2

About 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea

1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea (PubChem CID 19909971) has the molecular formula C6H11N7O and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea
PubChem CID19909971
Molecular FormulaC6H11N7O
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea
SMILESCNc1nc(N)nc(N(C)C(N)=O)n1
InChIInChI=1S/C6H11N7O/c1-9-5-10-3(7)11-6(12-5)13(2)4(8)14/h1-2H3,(H2,8,14)(H3,7,9,10,11,12)
InChIKeyGAIQJCNMWKXWDX-UHFFFAOYSA-N
XLogP-0.99
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,4,6-Tetramethylmelamine
CID 27774
N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide
CID 25796
2-Dimethylamino-4-methylamino-6-amino-1,3,5-triazine
CID 197943
Hmmm TP243
CID 156601176
6-methoxy-N,N,N'-trimethyl-1,3,5-triazine-2,4-diamine
CID 2189417
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
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
formaldehyde;2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18506374
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 18926846
1-Methyl-1-(1,3,5-triazin-2-yl)urea
CID 19758518

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea?
The IUPAC name of 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea (CID 19909971) is 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea.
What is the SMILES notation for 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea?
The canonical SMILES for 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea is CNc1nc(N)nc(N(C)C(N)=O)n1.
What is the InChIKey of 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea?
The InChIKey is GAIQJCNMWKXWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N7O/c1-9-5-10-3(7)11-6(12-5)13(2)4(8)14/h1-2H3,(H2,8,14)(H3,7,9,10,11,12).
What are the key properties of 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea?
1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea has a molecular weight of 197.20 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea is sourced from PubChem (CID 19909971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).