[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone

C17H20N4O2 — CID 109300530

IUPAC[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCN(Cc1ccccc1)c1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C17H20N4O2/c1-20(13-14-5-3-2-4-6-14)17-18-8-7-15(19-17)16(22)21-9-11-23-12-10-21/h2-8H,9-13H2,1H3
InChIKeyKBUOEQCKLXBUJG-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.59
Rot. Bonds4

About [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone

[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109300530) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109300530
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCN(Cc1ccccc1)c1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C17H20N4O2/c1-20(13-14-5-3-2-4-6-14)17-18-8-7-15(19-17)16(22)21-9-11-23-12-10-21/h2-8H,9-13H2,1H3
InChIKeyKBUOEQCKLXBUJG-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299151
[2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300595
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
[6-[benzyl(methyl)amino]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114629
[2-(N-benzylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302332
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302213
[4-[benzyl(ethyl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206409
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109300530) is [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone is CN(Cc1ccccc1)c1nccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is KBUOEQCKLXBUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20(13-14-5-3-2-4-6-14)17-18-8-7-15(19-17)16(22)21-9-11-23-12-10-21/h2-8H,9-13H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109300530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).