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

C15H20N6O3 — CID 122252907

IUPAC1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCc2nc(OC)nc(N(C)C)n2)c1
InChIInChI=1S/C15H20N6O3/c1-21(2)13-18-12(19-15(20-13)24-4)9-16-14(22)17-10-6-5-7-11(8-10)23-3/h5-8H,9H2,1-4H3,(H2,16,17,22)
InChIKeyIOIJENWAYXEQTD-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.28
Rot. Bonds6

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

1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea (PubChem CID 122252907) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea
PubChem CID122252907
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCc2nc(OC)nc(N(C)C)n2)c1
InChIInChI=1S/C15H20N6O3/c1-21(2)13-18-12(19-15(20-13)24-4)9-16-14(22)17-10-6-5-7-11(8-10)23-3/h5-8H,9H2,1-4H3,(H2,16,17,22)
InChIKeyIOIJENWAYXEQTD-UHFFFAOYSA-N
XLogP1.28
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea with MolForge

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Related Compounds

1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 121137400
2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
CID 122253015
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 121016835
1-(2,6-difluorophenyl)-3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]urea
CID 122252778
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966881
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 121137397
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3774763

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea (CID 122252907) is 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCc2nc(OC)nc(N(C)C)n2)c1.
What is the InChIKey of 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea?
The InChIKey is IOIJENWAYXEQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-21(2)13-18-12(19-15(20-13)24-4)9-16-14(22)17-10-6-5-7-11(8-10)23-3/h5-8H,9H2,1-4H3,(H2,16,17,22).
What are the key properties of 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea?
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea has a molecular weight of 332.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 122252907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).