1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea

C14H17N5O4 — CID 121016835

IUPAC1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1nc(CNC(=O)Nc2ccccc2OC)nc(OC)n1
InChIInChI=1S/C14H17N5O4/c1-21-10-7-5-4-6-9(10)16-12(20)15-8-11-17-13(22-2)19-14(18-11)23-3/h4-7H,8H2,1-3H3,(H2,15,16,20)
InChIKeyNMSQSSLKQGOFSM-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.22
Rot. Bonds6

About 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea

1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 121016835) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
PubChem CID121016835
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1nc(CNC(=O)Nc2ccccc2OC)nc(OC)n1
InChIInChI=1S/C14H17N5O4/c1-21-10-7-5-4-6-9(10)16-12(20)15-8-11-17-13(22-2)19-14(18-11)23-3/h4-7H,8H2,1-3H3,(H2,15,16,20)
InChIKeyNMSQSSLKQGOFSM-UHFFFAOYSA-N
XLogP1.22
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122253099
1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 71807403
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745
1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-(2-methylphenyl)urea
CID 122253456
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 121137400
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
CID 115640180
1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
CID 103970292
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 122252907

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea (CID 121016835) is 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea is COc1nc(CNC(=O)Nc2ccccc2OC)nc(OC)n1.
What is the InChIKey of 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is NMSQSSLKQGOFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-21-10-7-5-4-6-9(10)16-12(20)15-8-11-17-13(22-2)19-14(18-11)23-3/h4-7H,8H2,1-3H3,(H2,15,16,20).
What are the key properties of 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea?
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 319.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 121016835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).