[2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

C16H18N4O2 — CID 109300595

IUPAC[2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCN(c1ccccc1)c1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H18N4O2/c1-19(13-5-3-2-4-6-13)16-17-8-7-14(18-16)15(21)20-9-11-22-12-10-20/h2-8H,9-12H2,1H3
InChIKeyZNJYVYNEQSPRBD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.72
Rot. Bonds3

About [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

[2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109300595) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109300595
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCN(c1ccccc1)c1nccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H18N4O2/c1-19(13-5-3-2-4-6-13)16-17-8-7-14(18-16)15(21)20-9-11-22-12-10-20/h2-8H,9-12H2,1H3
InChIKeyZNJYVYNEQSPRBD-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109313290
4-[2-(N-methylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302890
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300530
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584
[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114694
(2-aminopyrimidin-4-yl)-morpholin-4-ylmethanone
CID 117212768
[2-(N-benzylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302332
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314243
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300535
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109300595) is [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is CN(c1ccccc1)c1nccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZNJYVYNEQSPRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19(13-5-3-2-4-6-13)16-17-8-7-14(18-16)15(21)20-9-11-22-12-10-20/h2-8H,9-12H2,1H3.
What are the key properties of [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 298.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109300595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).