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

C17H20N4O2 — CID 109343534

IUPAC[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCN(Cc1ccccc1)c1cc(C(=O)N2CCOCC2)ncn1
InChIInChI=1S/C17H20N4O2/c1-20(12-14-5-3-2-4-6-14)16-11-15(18-13-19-16)17(22)21-7-9-23-10-8-21/h2-6,11,13H,7-10,12H2,1H3
InChIKeyPJPJSIFEZWPFSE-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.59
Rot. Bonds4

About [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone

[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109343534) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109343534
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCN(Cc1ccccc1)c1cc(C(=O)N2CCOCC2)ncn1
InChIInChI=1S/C17H20N4O2/c1-20(12-14-5-3-2-4-6-14)16-11-15(18-13-19-16)17(22)21-7-9-23-10-8-21/h2-6,11,13H,7-10,12H2,1H3
InChIKeyPJPJSIFEZWPFSE-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

[6-[benzyl(methyl)amino]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114629
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300530
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
[4-[benzyl(ethyl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206409
N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109347788
(4-ethylpiperazin-1-yl)-[6-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109345465
[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184622
[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109118954
[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364267
6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
CID 130551332
[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352116
[6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342398

Frequently Asked Questions

What is the IUPAC name of [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109343534) is [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone is CN(Cc1ccccc1)c1cc(C(=O)N2CCOCC2)ncn1.
What is the InChIKey of [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is PJPJSIFEZWPFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20(12-14-5-3-2-4-6-14)16-11-15(18-13-19-16)17(22)21-7-9-23-10-8-21/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-[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 [6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109343534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).