[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C24H26N4O — CID 109329497

IUPAC[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C24H26N4O/c1-3-27(17-19-10-5-4-6-11-19)24-25-18(2)16-21(26-24)23(29)28-15-9-13-20-12-7-8-14-22(20)28/h4-8,10-12,14,16H,3,9,13,15,17H2,1-2H3
InChIKeyGZXURHPQKKCCOI-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.40
Rot. Bonds5

About [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109329497) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109329497
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C24H26N4O/c1-3-27(17-19-10-5-4-6-11-19)24-25-18(2)16-21(26-24)23(29)28-15-9-13-20-12-7-8-14-22(20)28/h4-8,10-12,14,16H,3,9,13,15,17H2,1-2H3
InChIKeyGZXURHPQKKCCOI-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109306718
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109334352
3,4-dihydro-2H-quinolin-1-yl-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322335
N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112919023
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109329487
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258457
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109328663
[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109189267
2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
CID 109329482
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335577
3,4-dihydro-2H-quinolin-1-yl-[6-methyl-2-(4-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109335576

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109329497) is [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is CCN(Cc1ccccc1)c1nc(C)cc(C(=O)N2CCCc3ccccc32)n1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GZXURHPQKKCCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-27(17-19-10-5-4-6-11-19)24-25-18(2)16-21(26-24)23(29)28-15-9-13-20-12-7-8-14-22(20)28/h4-8,10-12,14,16H,3,9,13,15,17H2,1-2H3.
What are the key properties of [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109329497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).