1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea

C19H28N6O4 — CID 122324795

IUPAC1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCNc1cc(C)nc(NCCNC(=O)Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C19H28N6O4/c1-6-20-16-9-12(2)23-18(25-16)21-7-8-22-19(26)24-13-10-14(27-3)17(29-5)15(11-13)28-4/h9-11H,6-8H2,1-5H3,(H2,22,24,26)(H2,20,21,23,25)
InChIKeyZUEVOHZAJIEUAO-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.48
Rot. Bonds10

About 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 122324795) has the molecular formula C19H28N6O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID122324795
Molecular FormulaC19H28N6O4
Molecular Weight404.47 g/mol
Exact Mass404.22
IUPAC Name1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCCNc1cc(C)nc(NCCNC(=O)Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C19H28N6O4/c1-6-20-16-9-12(2)23-18(25-16)21-7-8-22-19(26)24-13-10-14(27-3)17(29-5)15(11-13)28-4/h9-11H,6-8H2,1-5H3,(H2,22,24,26)(H2,20,21,23,25)
InChIKeyZUEVOHZAJIEUAO-UHFFFAOYSA-N
XLogP2.48
TPSA118.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-3-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]urea
CID 122324509
1-(3,4-dimethoxyphenyl)-3-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]urea
CID 122325232
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide
CID 70702932
1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 56700174
1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea
CID 122325306
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-fluorophenyl)urea
CID 56923369
6-methyl-2-N-pentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112925562
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
1-(3-chloro-4-fluorophenyl)-3-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]urea
CID 122325314
1-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122293270

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 122324795) is 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea is CCNc1cc(C)nc(NCCNC(=O)Nc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is ZUEVOHZAJIEUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O4/c1-6-20-16-9-12(2)23-18(25-16)21-7-8-22-19(26)24-13-10-14(27-3)17(29-5)15(11-13)28-4/h9-11H,6-8H2,1-5H3,(H2,22,24,26)(H2,20,21,23,25).
What are the key properties of 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 404.47 g/mol, XLogP of 2.48, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 122324795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).