(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

C19H22N4O2 — CID 157018229

IUPAC(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCc2ccccc2CC1
InChIInChI=1S/C19H22N4O2/c24-18(22-7-5-15-3-1-2-4-16(15)6-8-22)17-13-20-19(21-14-17)23-9-11-25-12-10-23/h1-4,13-14H,5-12H2
InChIKeyQTHOKRZLTPSVSF-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.55
Rot. Bonds2

About (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (PubChem CID 157018229) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.

Molecular Properties

Compound Name(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
PubChem CID157018229
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCc2ccccc2CC1
InChIInChI=1S/C19H22N4O2/c24-18(22-7-5-15-3-1-2-4-16(15)6-8-22)17-13-20-19(21-14-17)23-9-11-25-12-10-23/h1-4,13-14H,5-12H2
InChIKeyQTHOKRZLTPSVSF-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone with MolForge

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Related Compounds

N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 11494701
2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyrimidin-2-yl-acetamide
CID 14330383
N-hydroxy-2-[4-[(E)-1-morpholin-4-yl-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 46225963
4-[(2-Methylbenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 44561517
2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 44582179
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(oxolan-2-ylmethyl)-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 45488649
2-[3-(2-methylpiperidin-1-yl)propylamino]-4-(oxolan-2-ylmethylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 45489173
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 56659190
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 44582516
2-amino-N-methyl-N-[[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl]acetamide
CID 68106323
5-[3-Fluoro-2'-(morpholin-4-ylcarbonyl)biphenyl-4-yl]pyrimidin-2-amine
CID 90314181
Fadaltran
CID 91810363

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The IUPAC name of (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (CID 157018229) is (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.
What is the SMILES notation for (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The canonical SMILES for (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is O=C(c1cnc(N2CCOCC2)nc1)N1CCc2ccccc2CC1.
What is the InChIKey of (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The InChIKey is QTHOKRZLTPSVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(22-7-5-15-3-1-2-4-16(15)6-8-22)17-13-20-19(21-14-17)23-9-11-25-12-10-23/h1-4,13-14H,5-12H2.
What are the key properties of (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is sourced from PubChem (CID 157018229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).