(8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one

C26H26N6O4 — CID 58496181

IUPAC(8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
SMILESCc1cnc(Nc2ccc3c(c2)[C@H]2NC(=O)OC2C3)nc1Nc1ccc2c(c1)N(C)C(=O)C(C)(C)O2
InChIInChI=1S/C26H26N6O4/c1-13-12-27-24(29-15-6-5-14-9-20-21(17(14)10-15)30-25(34)35-20)31-22(13)28-16-7-8-19-18(11-16)32(4)23(33)26(2,3)36-19/h5-8,10-12,20-21H,9H2,1-4H3,(H,30,34)(H2,27,28,29,31)/t20?,21-/m1/s1
InChIKeyQDEZKIPXCZIJQK-BPGUCPLFSA-N
MW486.53 g/mol
LogP4.11
Rot. Bonds4

About (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one

(8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one (PubChem CID 58496181) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name(8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
PubChem CID58496181
Molecular FormulaC26H26N6O4
Molecular Weight486.53 g/mol
Exact Mass486.20
IUPAC Name(8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
SMILESCc1cnc(Nc2ccc3c(c2)[C@H]2NC(=O)OC2C3)nc1Nc1ccc2c(c1)N(C)C(=O)C(C)(C)O2
InChIInChI=1S/C26H26N6O4/c1-13-12-27-24(29-15-6-5-14-9-20-21(17(14)10-15)30-25(34)35-20)31-22(13)28-16-7-8-19-18(11-16)32(4)23(33)26(2,3)36-19/h5-8,10-12,20-21H,9H2,1-4H3,(H,30,34)(H2,27,28,29,31)/t20?,21-/m1/s1
InChIKeyQDEZKIPXCZIJQK-BPGUCPLFSA-N
XLogP4.11
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3aS,8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxopyrido[3,2-b][1,4]oxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
CID 45256908
3-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 67046996
(4aS,9aR)-6-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one
CID 58496175
(3aR,8bS)-7-[[5-chloro-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
CID 45256192
N-[[4-[[2-[[(8bR)-2-oxo-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-7-yl]amino]-5-chloropyrimidin-4-yl]amino]phenyl]methyl]cyclopropanesulfonamide
CID 58496226
2,2,4-trimethyl-6-(methylamino)-1,4-benzoxazin-3-one
CID 59150306
3-[[4-fluoro-5-methyl-6-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58956279
5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 59777611
3-[[4,5-dimethyl-6-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25061633
(7R,8aS)-N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine;6-[[4-[[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-2,2,4-trimethyl-1,4-benzoxazin-3-one;6-amino-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 159330796
4-methyl-6-[[5-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-1,4-benzoxazin-3-one
CID 59405589
6-[[2-(3,5-dimethylanilino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 67278368

Frequently Asked Questions

What is the IUPAC name of (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one?
The IUPAC name of (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one (CID 58496181) is (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one.
What is the SMILES notation for (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one?
The canonical SMILES for (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one is Cc1cnc(Nc2ccc3c(c2)[C@H]2NC(=O)OC2C3)nc1Nc1ccc2c(c1)N(C)C(=O)C(C)(C)O2.
What is the InChIKey of (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one?
The InChIKey is QDEZKIPXCZIJQK-BPGUCPLFSA-N. The full InChI is InChI=1S/C26H26N6O4/c1-13-12-27-24(29-15-6-5-14-9-20-21(17(14)10-15)30-25(34)35-20)31-22(13)28-16-7-8-19-18(11-16)32(4)23(33)26(2,3)36-19/h5-8,10-12,20-21H,9H2,1-4H3,(H,30,34)(H2,27,28,29,31)/t20?,21-/m1/s1.
What are the key properties of (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one?
(8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one has a molecular weight of 486.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8bR)-7-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 58496181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).