(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

C25H25N7O4 — CID 45256908

IUPAC(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
SMILESCc1cnc(Nc2ccc3c(c2)[C@H]2NC(=O)O[C@H]2C3)nc1Nc1ccc2c(n1)N(C)C(=O)C(C)(C)O2
InChIInChI=1S/C25H25N7O4/c1-12-11-26-23(27-14-6-5-13-9-17-19(15(13)10-14)30-24(34)35-17)31-20(12)28-18-8-7-16-21(29-18)32(4)22(33)25(2,3)36-16/h5-8,10-11,17,19H,9H2,1-4H3,(H,30,34)(H2,26,27,28,29,31)/t17-,19+/m0/s1
InChIKeyGZUIVTLFOYGLMH-PKOBYXMFSA-N
MW487.52 g/mol
LogP3.51
Rot. Bonds4

About (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

(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 (PubChem CID 45256908) has the molecular formula C25H25N7O4 and a molecular weight of 487.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID45256908
Molecular FormulaC25H25N7O4
Molecular Weight487.52 g/mol
Exact Mass487.20
IUPAC Name(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
SMILESCc1cnc(Nc2ccc3c(c2)[C@H]2NC(=O)O[C@H]2C3)nc1Nc1ccc2c(n1)N(C)C(=O)C(C)(C)O2
InChIInChI=1S/C25H25N7O4/c1-12-11-26-23(27-14-6-5-13-9-17-19(15(13)10-14)30-24(34)35-17)31-20(12)28-18-8-7-16-21(29-18)32(4)22(33)25(2,3)36-16/h5-8,10-11,17,19H,9H2,1-4H3,(H,30,34)(H2,26,27,28,29,31)/t17-,19+/m0/s1
InChIKeyGZUIVTLFOYGLMH-PKOBYXMFSA-N
XLogP3.51
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Related Compounds

(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
(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
3-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 67046996
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
5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 59777611
[6-[[5-fluoro-2-[3-(triazol-2-yl)anilino]pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
CID 102358972
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4-(phosphanylmethyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 143265872
(3aR,8bS)-7-[[5-chloro-4-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-4H-pyrimidin-2-yl]amino]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
CID 66981702
[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphite
CID 134377958
6-[[2-(3,5-dimethylanilino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 67278368
4-(dinitrosophosphoryloxymethyl)-6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
CID 166956850

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cnc(Nc2ccc3c(c2)[C@H]2NC(=O)O[C@H]2C3)nc1Nc1ccc2c(n1)N(C)C(=O)C(C)(C)O2.
What is the InChIKey of (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?
The InChIKey is GZUIVTLFOYGLMH-PKOBYXMFSA-N. The full InChI is InChI=1S/C25H25N7O4/c1-12-11-26-23(27-14-6-5-13-9-17-19(15(13)10-14)30-24(34)35-17)31-20(12)28-18-8-7-16-21(29-18)32(4)22(33)25(2,3)36-16/h5-8,10-11,17,19H,9H2,1-4H3,(H,30,34)(H2,26,27,28,29,31)/t17-,19+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 487.52 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 45256908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).