7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one

C25H35FN6O2 — CID 46865859

IUPAC7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one
SMILESCC1(C)CC(c2cnc(Nc3ccc4c(c3)OC(C)(C)C(=O)N4CCF)nc2N)CC(C)(C)N1
InChIInChI=1S/C25H35FN6O2/c1-23(2)12-15(13-24(3,4)31-23)17-14-28-22(30-20(17)27)29-16-7-8-18-19(11-16)34-25(5,6)21(33)32(18)10-9-26/h7-8,11,14-15,31H,9-10,12-13H2,1-6H3,(H3,27,28,29,30)
InChIKeyCSQNDGWRHBSMOM-UHFFFAOYSA-N
MW470.59 g/mol
LogP4.30
Rot. Bonds5

About 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one

7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one (PubChem CID 46865859) has the molecular formula C25H35FN6O2 and a molecular weight of 470.59 g/mol. Its IUPAC name is 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one
PubChem CID46865859
Molecular FormulaC25H35FN6O2
Molecular Weight470.59 g/mol
Exact Mass470.28
IUPAC Name7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one
SMILESCC1(C)CC(c2cnc(Nc3ccc4c(c3)OC(C)(C)C(=O)N4CCF)nc2N)CC(C)(C)N1
InChIInChI=1S/C25H35FN6O2/c1-23(2)12-15(13-24(3,4)31-23)17-14-28-22(30-20(17)27)29-16-7-8-18-19(11-16)34-25(5,6)21(33)32(18)10-9-26/h7-8,11,14-15,31H,9-10,12-13H2,1-6H3,(H3,27,28,29,30)
InChIKeyCSQNDGWRHBSMOM-UHFFFAOYSA-N
XLogP4.30
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-(2-fluoroethyl)-7-[[5-fluoro-4-phenyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
CID 87535208
4-(2-fluoroethyl)-7-iodo-2,2-dimethyl-1,4-benzoxazin-3-one
CID 89210487
4-amino-7-[[4-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 118376159
2-[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carbonitrile
CID 68665841
3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide
CID 68666016
5-fluoro-2-N-[3-(fluoromethyl)-4-(4-sulfanylpiperazin-1-yl)phenyl]-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 89048685
7-amino-2,2-dimethyl-4-(2-phenoxyethyl)-1,4-benzoxazin-3-one
CID 28815965
4-[(2,2-dimethyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl)amino]-4-oxobutanoic acid
CID 39194373
5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 67156362
(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
5-[[4-amino-5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 168902968
(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

Frequently Asked Questions

What is the IUPAC name of 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one (CID 46865859) is 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one is CC1(C)CC(c2cnc(Nc3ccc4c(c3)OC(C)(C)C(=O)N4CCF)nc2N)CC(C)(C)N1.
What is the InChIKey of 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is CSQNDGWRHBSMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN6O2/c1-23(2)12-15(13-24(3,4)31-23)17-14-28-22(30-20(17)27)29-16-7-8-18-19(11-16)34-25(5,6)21(33)32(18)10-9-26/h7-8,11,14-15,31H,9-10,12-13H2,1-6H3,(H3,27,28,29,30).
What are the key properties of 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one?
7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 470.59 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-amino-5-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-yl]amino]-4-(2-fluoroethyl)-2,2-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 46865859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).