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

C5H9N7O — CID 18366364

IUPAC1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H9N7O/c1-8-5(13)12-4-10-2(6)9-3(7)11-4/h1H3,(H6,6,7,8,9,10,11,12,13)
InChIKeyVRBJDKDGUYGVHN-UHFFFAOYSA-N
MW183.18 g/mol
LogP-1.21
Rot. Bonds1

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

1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea (PubChem CID 18366364) has the molecular formula C5H9N7O and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea
PubChem CID18366364
Molecular FormulaC5H9N7O
Molecular Weight183.18 g/mol
Exact Mass183.09
IUPAC Name1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H9N7O/c1-8-5(13)12-4-10-2(6)9-3(7)11-4/h1H3,(H6,6,7,8,9,10,11,12,13)
InChIKeyVRBJDKDGUYGVHN-UHFFFAOYSA-N
XLogP-1.21
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-Trimethylmelamine
CID 17804
N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide
CID 25796
Melamine, methyl-
CID 26029
1,3,5-Triazine-2,4,6-triamine, N,N'-dimethyl-
CID 11469186
Hmmm TP243
CID 156601176
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,N'-Dimethyl-6-methoxy-s-triazine-2,4-diamine
CID 35108
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
CID 12924257
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-[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea
CID 19909971

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea?
The IUPAC name of 1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea (CID 18366364) is 1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea.
What is the SMILES notation for 1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea?
The canonical SMILES for 1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea is CNC(=O)Nc1nc(N)nc(N)n1.
What is the InChIKey of 1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea?
The InChIKey is VRBJDKDGUYGVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N7O/c1-8-5(13)12-4-10-2(6)9-3(7)11-4/h1H3,(H6,6,7,8,9,10,11,12,13).
What are the key properties of 1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea?
1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea has a molecular weight of 183.18 g/mol, XLogP of -1.21, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diamino-1,3,5-triazin-2-yl)-3-methylurea is sourced from PubChem (CID 18366364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).