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

C17H20N4O3 — CID 109300535

IUPAC[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1CNc1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C17H20N4O3/c1-23-15-5-3-2-4-13(15)12-19-17-18-7-6-14(20-17)16(22)21-8-10-24-11-9-21/h2-7H,8-12H2,1H3,(H,18,19,20)
InChIKeyXSOKRIDPTRTSDX-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.57
Rot. Bonds5

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

[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109300535) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109300535
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1CNc1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C17H20N4O3/c1-23-15-5-3-2-4-13(15)12-19-17-18-7-6-14(20-17)16(22)21-8-10-24-11-9-21/h2-7H,8-12H2,1H3,(H,18,19,20)
InChIKeyXSOKRIDPTRTSDX-UHFFFAOYSA-N
XLogP1.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300546
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
[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-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
[2-(2-methoxyethylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109299603
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
CID 109212072
2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300891
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109305262

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109300535) is [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone is COc1ccccc1CNc1nccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is XSOKRIDPTRTSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-5-3-2-4-13(15)12-19-17-18-7-6-14(20-17)16(22)21-8-10-24-11-9-21/h2-7H,8-12H2,1H3,(H,18,19,20).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 328.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109300535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).