8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one

C18H29N5O5S — CID 177232970

IUPAC8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCC1(C)Oc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2N(C(C)(C)CO)C1=O
InChIInChI=1S/C18H29N5O5S/c1-17(2,11-24)23-14-13(28-18(3,4)15(23)25)10-19-16(21-14)20-12-6-8-22(9-7-12)29(5,26)27/h10,12,24H,6-9,11H2,1-5H3,(H,19,20,21)
InChIKeyMYYZSOBOQWSRNI-UHFFFAOYSA-N
MW427.53 g/mol
LogP0.59
Rot. Bonds5

About 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one

8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 177232970) has the molecular formula C18H29N5O5S and a molecular weight of 427.53 g/mol. Its IUPAC name is 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID177232970
Molecular FormulaC18H29N5O5S
Molecular Weight427.53 g/mol
Exact Mass427.19
IUPAC Name8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCC1(C)Oc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2N(C(C)(C)CO)C1=O
InChIInChI=1S/C18H29N5O5S/c1-17(2,11-24)23-14-13(28-18(3,4)15(23)25)10-19-16(21-14)20-12-6-8-22(9-7-12)29(5,26)27/h10,12,24H,6-9,11H2,1-5H3,(H,19,20,21)
InChIKeyMYYZSOBOQWSRNI-UHFFFAOYSA-N
XLogP0.59
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one with MolForge

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Related Compounds

6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-[(3S)-1-methylsulfonylpyrrolidin-3-yl]pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232902
6,6-dimethyl-8-(6-methyl-2-pyridinyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232929
acetylene;cyclopentanol;6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 177232954
(3S,4R)-3-methyl-4-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxyoxolan-3-ol
CID 167090326
cis-(1R,2R)-2-[[5-bromo-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]-1-methylcyclopentan-1-ol
CID 134253044
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
CID 171468969
CID 174093131
CID 174093131
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
[5-[5-chloro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol
CID 167193691
4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-thiazol-5-yl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 172798088
N-ethyl-5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 169183740

Frequently Asked Questions

What is the IUPAC name of 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one (CID 177232970) is 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one is CC1(C)Oc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2N(C(C)(C)CO)C1=O.
What is the InChIKey of 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is MYYZSOBOQWSRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O5S/c1-17(2,11-24)23-14-13(28-18(3,4)15(23)25)10-19-16(21-14)20-12-6-8-22(9-7-12)29(5,26)27/h10,12,24H,6-9,11H2,1-5H3,(H,19,20,21).
What are the key properties of 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one?
8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 427.53 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-hydroxy-2-methylpropan-2-yl)-6,6-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 177232970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).