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

C5H5Cl2N5O — CID 119091246

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H5Cl2N5O/c1-8-5(13)12-4-10-2(6)9-3(7)11-4/h1H3,(H2,8,9,10,11,12,13)
InChIKeyWSOMHOOMYGWPSD-UHFFFAOYSA-N
MW222.03 g/mol
LogP0.93
Rot. Bonds1

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

1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea (PubChem CID 119091246) has the molecular formula C5H5Cl2N5O and a molecular weight of 222.03 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea
PubChem CID119091246
Molecular FormulaC5H5Cl2N5O
Molecular Weight222.03 g/mol
Exact Mass220.99
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H5Cl2N5O/c1-8-5(13)12-4-10-2(6)9-3(7)11-4/h1H3,(H2,8,9,10,11,12,13)
InChIKeyWSOMHOOMYGWPSD-UHFFFAOYSA-N
XLogP0.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide
CID 25796
4,6-dichloro-N-methyl-1,3,5-triazin-2-amine
CID 312201
4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 14765433
N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 326498
1-(4,6-Diamino-1,3,5-triazin-2-yl)-3-methylurea
CID 18366364
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 18926846
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide
CID 19736187
1-[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea
CID 19909971
N-(2,4-dichloro-s-triazin-6-yl)-N-methyl-urea
CID 21558473
N-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
CID 53655900
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride
CID 54258198
1-[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea
CID 54265698

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea (CID 119091246) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea is CNC(=O)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea?
The InChIKey is WSOMHOOMYGWPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N5O/c1-8-5(13)12-4-10-2(6)9-3(7)11-4/h1H3,(H2,8,9,10,11,12,13).
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea?
1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea has a molecular weight of 222.03 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylurea is sourced from PubChem (CID 119091246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).