1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea

C18H26N6O2 — CID 122325306

IUPAC1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea
SMILESCCNc1nc(C)cc(NCCNC(=O)Nc2ccc(OC)cc2C)n1
InChIInChI=1S/C18H26N6O2/c1-5-19-17-22-13(3)11-16(24-17)20-8-9-21-18(25)23-15-7-6-14(26-4)10-12(15)2/h6-7,10-11H,5,8-9H2,1-4H3,(H2,21,23,25)(H2,19,20,22,24)
InChIKeyZHEWUMZTEOEDEC-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.77
Rot. Bonds8

About 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea

1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 122325306) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea
PubChem CID122325306
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea
SMILESCCNc1nc(C)cc(NCCNC(=O)Nc2ccc(OC)cc2C)n1
InChIInChI=1S/C18H26N6O2/c1-5-19-17-22-13(3)11-16(24-17)20-8-9-21-18(25)23-15-7-6-14(26-4)10-12(15)2/h6-7,10-11H,5,8-9H2,1-4H3,(H2,21,23,25)(H2,19,20,22,24)
InChIKeyZHEWUMZTEOEDEC-UHFFFAOYSA-N
XLogP2.77
TPSA100.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-methoxybenzamide
CID 70702840
1-(4-ethoxyphenyl)-3-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]urea
CID 122324509
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-(3-fluorophenyl)urea
CID 56923369
1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122324795
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
1-(2-chlorophenyl)-3-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]urea
CID 121075626
1-(4-methoxy-2-methylphenyl)-3-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 71800240
1-(3-chloro-4-fluorophenyl)-3-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]urea
CID 122325314
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2,5-dimethylbenzamide
CID 56700210
1-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3-methylphenyl)urea
CID 121075607
4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325518

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea (CID 122325306) is 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea is CCNc1nc(C)cc(NCCNC(=O)Nc2ccc(OC)cc2C)n1.
What is the InChIKey of 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is ZHEWUMZTEOEDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-5-19-17-22-13(3)11-16(24-17)20-8-9-21-18(25)23-15-7-6-14(26-4)10-12(15)2/h6-7,10-11H,5,8-9H2,1-4H3,(H2,21,23,25)(H2,19,20,22,24).
What are the key properties of 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea?
1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 358.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 122325306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).