[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone

C18H22N4O3 — CID 109300546

IUPAC[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1CCNc1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H22N4O3/c1-24-16-5-3-2-4-14(16)6-8-19-18-20-9-7-15(21-18)17(23)22-10-12-25-13-11-22/h2-5,7,9H,6,8,10-13H2,1H3,(H,19,20,21)
InChIKeyRXVXVEDXZGYTCS-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.61
Rot. Bonds6

About [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone

[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109300546) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109300546
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1CCNc1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H22N4O3/c1-24-16-5-3-2-4-14(16)6-8-19-18-20-9-7-15(21-18)17(23)22-10-12-25-13-11-22/h2-5,7,9H,6,8,10-13H2,1H3,(H,19,20,21)
InChIKeyRXVXVEDXZGYTCS-UHFFFAOYSA-N
XLogP1.61
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300535
[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109299603
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302210
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299156
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296927
2-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308588
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109300546) is [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone is COc1ccccc1CCNc1nccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is RXVXVEDXZGYTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-16-5-3-2-4-14(16)6-8-19-18-20-9-7-15(21-18)17(23)22-10-12-25-13-11-22/h2-5,7,9H,6,8,10-13H2,1H3,(H,19,20,21).
What are the key properties of [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 342.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109300546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).