8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide

C19H21N7O3 — CID 167079286

IUPAC8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ncn2c(N3CCOCC3)c(C(=O)NN3CCOc4ccccc43)cnc12
InChIInChI=1S/C19H21N7O3/c20-16-17-21-11-13(19(25(17)12-22-16)24-5-8-28-9-6-24)18(27)23-26-7-10-29-15-4-2-1-3-14(15)26/h1-4,11-12H,5-10,20H2,(H,23,27)
InChIKeyXKTKSSZESWRDSL-UHFFFAOYSA-N
MW395.42 g/mol
LogP0.69
Rot. Bonds3

About 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide

8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167079286) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167079286
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ncn2c(N3CCOCC3)c(C(=O)NN3CCOc4ccccc43)cnc12
InChIInChI=1S/C19H21N7O3/c20-16-17-21-11-13(19(25(17)12-22-16)24-5-8-28-9-6-24)18(27)23-26-7-10-29-15-4-2-1-3-14(15)26/h1-4,11-12H,5-10,20H2,(H,23,27)
InChIKeyXKTKSSZESWRDSL-UHFFFAOYSA-N
XLogP0.69
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide
CID 155355679
N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide;molecular hydrogen
CID 163389150
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415
N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide
CID 155355625
4-(3,4-difluoropyrrolidin-1-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 169227473
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
4-amino-N-(2-morpholin-4-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687967
2-morpholin-4-ylbenzohydrazide
CID 7148386
2-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109262545
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
6-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109124354
4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid
CID 7719304

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide (CID 167079286) is 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide is Nc1ncn2c(N3CCOCC3)c(C(=O)NN3CCOc4ccccc43)cnc12.
What is the InChIKey of 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XKTKSSZESWRDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c20-16-17-21-11-13(19(25(17)12-22-16)24-5-8-28-9-6-24)18(27)23-26-7-10-29-15-4-2-1-3-14(15)26/h1-4,11-12H,5-10,20H2,(H,23,27).
What are the key properties of 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide?
8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylimidazo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167079286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).